Warning: Some parameters are guessed (Quality = 1)

Mm2
Calculation started
Pi System: 4 3 2 1 5 6
Warning: Some parameters are guessed (Quality = 1).
Iteration 30: Minimization terminated normally because the gradient norm is less than the minimum gradient norm
Stretch: 0.5748
Bend: 0.8111
Stretch-Bend: -0.0165
Torsion: -7.9400
Non-1,4 VDW: -0.0353
1,4 VDW: 5.1592
Dipole/Dipole: 0.2381
Total: -1.2087
Calculation completed

Charges
C -0.079 [C(1)]

C -0.048 [C(2)]
C -0.079 [C(3)]
C 0.053 [C(4)]
C 0.021 [C(5)]
C 0.052 [C(6)]
C -0.140 [C(7)]
C -0.147 [C(8)]
C -0.141 [C(9)]
H 0.023 [H(10)]
H 0.025 [H(11)]
H 0.023 [H(12)]
H 0.039 [H(13)]
H 0.053 [H(14)]
H 0.053 [H(15)]
H 0.042 [H(16)]
H 0.053 [H(17)]
H 0.053 [H(18)]
H 0.039 [H(19)]
H 0.053 [H(20)]
H 0.053 [H(21)]

------------ GAMESS Interface ------------

GAMESS Job: Predict IR/Raman Spectrum RHF/STO-2G
IR Spectrum Species:
Transmittance (%) Wavenumbers
----------------- -----------
100.00 0.0000
100.00 0.0100
99.99 7.8800
99.97 20.0000
99.94 22.8500
99.91 167.9000
100.00 270.0700
97.73 324.4400
99.97 351.3400
99.99 387.3000
99.98 471.4000
100.00 506.4000
99.96 522.8600
99.82 541.9300
99.68 559.5400
100.00 596.4500
100.00 619.0100
96.21 619.4800
99.30 793.4800
99.95 866.5800
99.71 961.4700
86.71 997.0900
97.77 1098.5600
98.68 1152.9500
100.00 1156.8800
99.94 1240.4400
90.69 1246.2400
96.65 1313.1400
93.63 1334.4800
99.97 1336.2000
99.87 1337.2300
99.75 1347.0200
99.48 1351.5000
98.25 1438.1100
95.35 1464.0400
79.80 1543.2000
98.88 1570.8500
24.74 1778.7300
0.00 1786.2800
99.27 1802.6400
98.07 1826.4100
98.50 1836.6400
82.14 1851.8900
97.06 1861.6500
100.00 1862.9000
96.32 1867.8700
97.12 1872.2100
99.46 1879.0500
89.18 2001.9300
99.45 2013.2700
97.01 3495.7900
96.43 3498.1400
97.06 3506.5800
99.67 3658.8700
99.81 3661.2400
99.78 3662.5600
99.61 3666.0900
99.75 3668.4400
99.58 3672.6300
84.11 3684.1300
99.77 3690.3100
76.41 3694.9100