Molecule name xx yy zz

H2CO Formaldehyde -0.27 0.33 -0.06

HCOOH Formic acid -5.3 5.2 0.1

C6H6 Benzene 4.35 4.35 -8.7

CH3Br methyl bromide -1.78 -1.78 3.55

C2H6 Ethane 0.336 0.336 -0.673

C2H4 Ethylene -3.16 1.48 1.67
C2H2 Acetylene -3.168 -3.168 6.335

CH3Cl Methyl chloride -0.615 -0.615 1.23

CH3CCH propyne -2.41 -2.41 4.82

CH2CHF Ethene, fluoro- -0.2 3.1 -2.9

CH3CN Acetonitrile 0.9 0.9 -1.8

CH3CHO Acetaldehyde -1.2 0.2 1

Methane,
CH2F2 2.2 -4.1 1.9
difluoro-

CHONH2 formamide -0.3 3.4 -3.1

Carbon
CS2 -1.724 -1.724 3.448
disulfide
Dimethyl
CH3SCH3 -1.7 3.2 -1.5
sulfide
C3H6 Cyclopropane -0.8 -0.8 1.6
C2H4O Ethylene oxide 1.8 2.5 -4.3

Ethane, 1,1-
CH3CHF2 1.8 0.9 -2.7
difluoro-

Ethene, 1,1-
CH2CF2 -1.5 -0.9 2.4
difluoro-

Methane,
CHF3 -1.8 -1.8 3.6
trifluoro-

tetramethylsilan
Si(CH3)4 0 0 0
e

1,3-Butadiene,
C5H8 1.7 3.3 -5
2-methyl-

CH2CHCHO Acrolein 3.3 -2.5 -0.8

CH3OCHO methyl formate 4.2 -6.5 2.3

C4H5N Pyrrole -12.4 5.8 6.6

C4H4O Furan -6.1 5.9 0.2

C4H4S Thiophene -8.3 6.6 1.7

C5H5N Pyridine -5.4 8 -2.6

CH2CHCH3 Propene 0.6 2.9 -3.5

CH3OCH3 Dimethyl ether -1.3 3.3 -2

CO2 Carbon dioxide 2.139 2.139 -4.278

hydroxy
CHOCH2OH 3.8 -5.6 1.8
acetaldehyde

C2H5N Aziridine 1.3 -2.6 1.3

Bicyclo[1.1.0]b
C4H6 -2.6 1.3 1.3
utane

C3H6S Thietane -0.5 -2.7 3.2

C2H5F fluoroethane -2 1.3 0.7

Carbonic
CF2O 3.9 -0.2 -3.7
difluoride
 Trifluoroethyle
C2HF3 2.7 -3.5 0.8
ne

hexafluorobenz
C6F6 -4.75 -4.75 9.5
ene

C2H4S Thiirane -0.7 1.2 -0.5

C6H5F Fluorobenzene -5.82 7.34 -1.52

CH2CCH2 allene -2.085 -2.085 4.17

CH2CO Ketene -3.1 3.8 -0.7

Carbonyl
OCS 0.292 0.292 -0.584
sulfide

C3H6O Oxetane 2.3 -4.9 2.6

ClCN chlorocyanogen 1.95 1.95 -3.9

1,3-
C5H6 Cyclopentadien -5.1 1.4 3.7
e

Carbon
CBr4 0 0 0
tetrabromide

1,3-
C6H8 -5.9 2.7 3.2
Cyclohexadiene

CH3F Methyl fluoride 0.7 0.7 -1.4

 methyl
CH3NC -1.35 -1.35 -2.7
isocyanide
Carbon
CO 1.42 1.42 -2.839
monoxide

C4H6 Cyclobutene -1.3 1.6 -0.3

Cyclobutane,
C5H8 -1.2 -1.1 2.3
methylene-

C4H6O Cyclobutanone 4.8 -9.4 4.6

Hydrogen
H2 -0.26 -0.26 0.52
diatomic
Carbonyl
OCSe 0.127 0.127 -0.253
selenide

Ethene, 1,2-
C2H2F2 -1.7 -1.3 3
difluoro-, (Z)-

HCCF Fluoroacetylene -1.98 -1.98 3.96

C3H4 cyclopropene -2 2.4 -0.4

carbon
CS -0.05 -0.05 0.1
monosulfide

C2H2CO cyclopropenone -1 4 -3
 Bicyclo[2.1.0]p
C5H6 -1.9 2.7 -0.8
ent-2-ene

Methylenecyclo
C4H6 -0.7 0.9 -0.2
propane

SO2 Sulfur dioxide 3.86 -4.91 1.02

Borane,
BF3 -1.889 -1.889 3.777
trifluoro-
Hydrogen
HCl -1.921 -1.921 3.843
chloride
Hydrogen
HF -1.17 -1.17 2.339
fluoride
NH3 Ammonia 1.16 1.16 -2.32

NaF sodium fluoride 0.985 0.985 -1.969

Nitrogen
N2 0.697 0.697 -1.394
diatomic

H2 O Water -2.5 2.63 -0.13

Oxygen
O2 0.155 0.155 -0.31
diatomic
Chlorine
Cl2 -1.509 -1.509 3.019
diatomic

Difluorine
F2 O -1.6 -0.5 2.1
monoxide
 Phosphorus
PF3 -12.05 -12.05 24.1
trifluoride

Sulfur
SF4 0.6 10.1 -10.7
tetrafluoride

Chlorine
ClF -0.67 -0.67 1.34
monofluoride
PH3 Phosphine 1.05 1.05 -2.1
N2 O Nitrous oxide 1.83 1.83 -3.65

O3 Ozone 9.2 -17.1 7.9

Bromine
BrF -0.46 -0.46 0.91
monofluoride
 squib commment
aa=-0.06+-0.16
1974Hel/Hel(II/6) bb=0.33+-E28
cc=-0.27+-0.2
x y switched
1984Gra/Gub from ref +-0.6,
+-0.6, +-0.6
1981Bat/Buc:421 -0.5
1974Hel/Hel(II/6)

2000Rus/Spa:867
1994Maj/Lut:567
2003Gea/Har:697

1984Gra/Gub 1.23+-0.82
1974Hel/Hel(II/6)

Qxx=-0.2+-0.2
1971Fly/Ben:225 Qyy=3.1+-0.2,
Qzz=-2.9+-0.3
-1.2

Qxx=-1.2+-1.5,
1971Fly/Ben:225 Qyy=1.0+-0.9,
Qzz=0.2+-1.8

1984Gra/Gub
-4.1+-0.4, 2.2+-
0.6, 1.9+-0.3

Qxx=3.4+-0.4,
1971Fly/Ben:225 Qyy=-0.3+-0.5,
Qzz=-3.1+-0.8

1997Wat/Cra:1
11.5 +- 0.5 C
m^2 (1E-40)
1984Gra/Gub
+-0.8, +-0.5, +-
0.5
1984Gra/Gub -0.2
 Qxx=-4.3+-0.5,
1971Fly/Ben:225 Qyy=2.5+-0.4,
Qzz=1.8+-0.8

Qxx=0.9+-0.8,
1971Fly/Ben:225 Qyy=-2.7+-0.9,
Qzz=1.8+-1.3

Qxx=2.4+-0.5,
1971Fly/Ben:225 Qyy=-0.9+-0.4,
Qzz=-1.5+-0.8

3.6+-2.0
1971Fly/Ben:225
(1984Gra/Gub
give 4.87+-
0.02)

by symmetry

Qxx=1.7+-2.2,
1971Fly/Ben:225 Qyy=3.3+-2.3,
Qzz=-5.0+-3.2

Qxx=-2.5+-1.1,
1971Fly/Ben:225 Qyy=3.3+-1.7,
Qzz=-0.8+-2.2

Qxx=4.2+-0.9,
1971Fly/Ben:225 Qyy=2.3+-0.8,
Qzz=-6.5+-1.3

Qxx=6.6+-1.2,
1971Fly/Ben:225 Qyy=5.8+-1.6,
Qzz=-12.4+-2.5

Qxx=0.2+-
1971Fly/Ben:225
0.4,Qyy=5.9+-
0.3,Qzz=-6.1+-
0.4
 Qxx=1.7+-1.6,
1971Fly/Ben:225 Qyy=6.6+-1.5,
Qzz=-8.3+-2.2

1984Gra/Gub
+-0.7, +-0.4, +-
0.4
Qxx=0.6+-0.3,
1971Fly/Ben:225 Qyy=2.9+-0.5,
Qzz=-3.5+-0.7

1984Gra/Gub
+-1.0, +-0.6, +-
0.5

1998Gra/Imr:49
-14.27± 0.61 E-
40 C m2
1971Fly/Ben:225

Qxx=-2.6+-0.6,
1971Fly/Ben:225 Qyy=1.3+-0.6,
Qzz=1.3+-0.6

Qxx=1.3+-0.2
(my yy), Qyy=-
1971Fly/Ben:225 2.6+-0.3(my
xx), Qzz=1.3+-
0.4 (my zz);

Qxx=-2.7+-1.0,
1971Fly/Ben:225 Qyy=3.2+-1.0,
Qzz=-0.5+-1.6

Qxx=-2+-0.4,
1971Fly/Ben:225 Qyy=1.3+-0.4,
Qzz=0.7+-0.7

Qxx=-3.7+-.07,
1971Fly/Ben:225 Qyy=-0.2+-0.5,
Qzz=3.9+-1.1
 Qxx=-3.5+-0.4,
1971Fly/Ben:225 Qyy=2.7+-0.4,
Qzz=0.8+-0.5

1981Bat/Buc:421 -0.5

Qxx=-0.5+-0.7,
1971Fly/Ben:225 Qyy=1.2+-0.8,
Qzz=-0.7+-0.7

1984Gra/Gub
+_0.62, +-0.48,
+-0.36
1984Gra/Gub

Qxx=-0.7+-0.3,
1971Fly/Ben:225 Qyy=3.8+-0.4,
Qzz=-3.1+-0.4

2004Ben/Sad:687

Qxx=-4.9+-0.5,
1971Fly/Ben:225 Qyy=2.3+-0.7,
Qzz=2.6+-1.0

1974Hel/Hel(II/6)

Qxx=3.7+-
1971Fly/Ben:225
0.4,Qyy=1.4+-
0.4,Qzz=-5.1+-
0.5

symmetry

Qxx=3.2+-2.8,
1971Fly/Ben:225 Qyy=2.7+-2.8,
Qzz=-5.9+-3.8

1971Fly/Ben:225 -1.1
1971Fly/Ben:225 -4.3

1998Gra/Imr:49
-9.47+-0.15 E-
40 Cm^2

Qxx=-0.3+-0.6,
1971Fly/Ben:225 Qyy=1.6+-0.7,
Qzz=-1.3+-1.0

Qxx=-1.2+-1.1,
1971Fly/Ben:225 Qyy=-1.1+-2.0,
Qzz=2.3+-2.4

Qxx=-9.4+-1.2,
1971Fly/Ben:225 Qyy=4.6+-1.1,
Qzz=4.8+-1.7

1963Orc:605

1993Kle/Sut:968

Qxx=-1.7+-0.4,
1971Fly/Ben:225 Qyy=3+-0.3,
Qzz=-1.3+-0.5

1971Fly/Ben:225 3.96 +- 0.14

Qxx=-0.4+-0.4,
1971Fly/Ben:225 Qyy=2.4+-0.3,
Qzz=-2.0+-0.6

0.096064248+3
.026023805
1973Ben/
Fly:2772-2777
 Qxx=-1.9+-1.5,
1971Fly/Ben:225 Qyy=2.7+-1.7,
Qzz=-0.8+-2.4

Qxx=-0.7+-0.5,
Qyy=0.9+-0.6,
1971Fly/Ben:225 Qzz=-0.2+-0.9,
axes don't
match
Qxx=3.86+-
1984Gra/Gub
0.06, -4.91+-
0.10, 1.02+-
0.03

1998Gra/Imr:49
12.6+-0.7 E-40
C m2
1974Hel/Hel(II/6)

1974Hel/Hel(II/6)

1974Hel/Hel(II/6)

-
1974Hel/Hel(II/6) 1.969317079+_
0.720481858

1998Gra/Imr:49
-4.65+-0.08 E-
40 C m2

aa=2.63+-0.02
1974Hel/Hel(II/6) bb=-0.13+-0.03
cc=-2.5+-0.02

2014Cou/Nto:41 -0.0080944

1998Gra/Imr:49
10.07+-0.16 E-
40 C m2
aa=-1.6+-1.4
1974Hel/Hel(II/6) bb=2.1+-E28
cc=-0.5+-1.9
1974Hel/Hel(II/6)

aa=-10.7+-2.8
1974Hel/Hel(II/6) bb=0.6+-3.1
cc=10.1+-4.4

1.34+-1.0
1971Fly/Ben:225 -3.1
1974Hel/Hel(II/6)

aa=-17.1+-5.2
1974Hel/Hel(II/6) bb=9.2+-E28
cc=7.9+-7.9

1974Hel/Hel(II/6) 0.91+-1.01