13C NMR Spectrum

100

80

60
PPM

40

20

1H NMR Spectrum

12

10

8
PPM

Calculation started
Note: All parameters used are finalized (Quality = 4).
Iteration 38: Minimization terminated normally because the gradient norm is
less than the minimum gradient norm

Stretch:

0.2844

Bend:

0.5217

Stretch-Bend: 0.0581
Torsion:

-0.4913

Non-1,4 VDW: -0.9781

1,4 VDW:

4.4118

Dipole/Dipole: 0.1870
Total:

3.9935

Calculation completed

------------ GAMESS Interface -----------GAMESS Job: Predict NMR Spectrum RHF/STO-2G

13C NMR Spectrum:
C(1) 7.11
C(2) 6.5
C(3) 5.15
C(4) 92.77
C(5) 107.56
C(6) 9.5
C(7) 20.64
1H NMR Spectrum:
H(8) 13.21
H(9) 13.21
H(10) 13.25
H(11) 13.25
H(12) 13.78
H(13) 13.78

H(14) 2.77
H(15) 12.49
H(16) 12.49
H(17) 11.23
H(18) 11.23
H(19) 11.23
------------------------------------------