1. Job type: Single-point energy calculation plus second derivatives, including
harmonic vibrational analysis
Method: Hartree-Fock (HF)
Basis set: STO-3G
SCF Type: Restricted Open-shell Hartree-Fock (ROHF)
Stoichiometric formula: C12H9
Number of atoms: 21
Molecular multiplicity: 2
Molecular charge: 0
Dipole moment (Debye): 0.68
E(Hartree) = -453.9810242
E(kcal/mol) = -284877.63
Program terminated normally: Yes
-----------------ADDITIONAL INFORMATION-----------------
---Thermochemistry at 298.15 K---
ZPE (Hartree/molecule) = 0.197373
ZPE (kcal/mol) = 123.854
E (kcal/mol) = 128.504
H (kcal/mol) = 129.096
G (kcal/mol) = 102.874
S (cal/mol-K) = 87.950

2. ---Calculated Charges---
Atom Mulliken Lowdin
1 C -0.05 -0.03
2 C -0.08 -0.05
3 C -0.00 -0.00
4 C -0.01 -0.02
5 C -0.13 -0.05
6 H +0.06 +0.03
7 H +0.06 +0.03
8 H +0.08 +0.05
9 H +0.08 +0.05
10 C +0.03 +0.02
11 C -0.09 -0.05
12 C -0.07 -0.04
13 C -0.01 -0.01
14 C +0.02 +0.02
15 C -0.10 -0.06
16 H +0.06 +0.03
17 H +0.06 +0.03
18 H +0.06 +0.03
19 C -0.13 -0.06
20 H +0.08 +0.04
21 H +0.08 +0.04