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	hartrees
Energy at 0K	-282.212738
Energy at 298.15K	-282.220987
Nuclear repulsion energy	271.455819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3942	3219	2.81
2	A'	3746	3058	4.08
3	A'	3730	3046	2.21
4	A'	3708	3027	0.03
5	A'	1988	1623	21.76
6	A'	1944	1587	37.45
7	A'	1801	1470	55.66
8	A'	1499	1224	23.90
9	A'	1372	1121	2.86
10	A'	1211	988	0.49
11	A'	1201	981	0.44
12	A'	1156	944	0.85
13	A'	1091	891	12.53
14	A'	984	803	125.02
15	A'	911	744	53.32
16	A'	865	706	90.28
17	A'	831	678	14.28
18	A'	592	483	0.55
19	A'	571	467	12.95
20	A'	263	214	3.82
21	A"	4137	3378	0.21
22	A"	3734	3049	9.39
23	A"	3721	3038	0.04
24	A"	1926	1573	2.91
25	A"	1756	1434	10.76
26	A"	1581	1291	0.38
27	A"	1407	1149	1.82
28	A"	1354	1106	0.74
29	A"	1257	1026	0.52
30	A"	1184	967	0.01
31	A"	1147	936	9.81
32	A"	1021	834	0.07
33	A"	715	584	0.01
34	A"	481	393	0.00
35	A"	410	335	0.24
36	A"	269	220	34.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	0.919	0.000
C2	-0.006	0.214	1.203
C3	-0.006	-1.170	1.197
C4	-0.006	-1.869	0.000
C5	-0.006	-1.170	-1.197
C6	-0.006	0.214	-1.203
N7	-0.079	2.362	0.000
H8	-0.006	0.757	2.138
H9	-0.005	-1.707	2.138
H10	-0.004	-2.951	0.000
H11	-0.005	-1.707	-2.138
H12	-0.006	0.757	-2.138
H13	0.392	2.745	-0.830
H14	0.392	2.745	0.830

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3941	2.4077	2.7884	2.4077	1.3941	1.4446	2.1440	3.3863	3.8697	3.3863	2.1440	2.0447	2.0447
C2	1.3941		1.3838	2.4055	2.7703	2.4054	2.4626	1.0816	2.1366	3.3854	3.8534	3.3845	3.2708	2.5894
C3	2.4077	1.3838		1.3866	2.3945	2.7703	3.7297	2.1444	1.0832	2.1458	3.3780	3.8519	4.4268	3.9525
C4	2.7884	2.4055	1.3866		1.3866	2.4055	4.2316	3.3866	2.1439	1.0814	2.1439	3.3866	4.7055	4.7055
C5	2.4077	2.7703	2.3945	1.3866		1.3838	3.7297	3.8519	3.3780	2.1458	1.0832	2.1444	3.9525	4.4268
C6	1.3941	2.4054	2.7703	2.4055	1.3838		2.4626	3.3845	3.8534	3.3854	2.1366	1.0816	2.5894	3.2708
N7	1.4446	2.4626	3.7297	4.2316	3.7297	2.4626		2.6740	4.5968	5.3128	4.5968	2.6740	1.0286	1.0286
H8	2.1440	1.0816	2.1444	3.3866	3.8519	3.3845	2.6740		2.4643	4.2801	4.9350	4.2758	3.5943	2.4127
H9	3.3863	2.1366	1.0832	2.1439	3.3780	3.8534	4.5968	2.4643		2.4731	4.2755	4.9350	5.3656	4.6575
H10	3.8697	3.3854	2.1458	1.0814	2.1458	3.3854	5.3128	4.2801	2.4731		2.4731	4.2801	5.7698	5.7698
H11	3.3863	3.8534	3.3780	2.1439	1.0832	2.1366	4.5968	4.9350	4.2755	2.4731		2.4643	4.6575	5.3656
H12	2.1440	3.3845	3.8519	3.3866	2.1444	1.0816	2.6740	4.2758	4.9350	4.2801	2.4643		2.4127	3.5943
H13	2.0447	3.2708	4.4268	4.7055	3.9525	2.5894	1.0286	3.5943	5.3656	5.7698	4.6575	2.4127		1.6600
H14	2.0447	2.5894	3.9525	4.7055	4.4268	3.2708	1.0286	2.4127	4.6575	5.7698	5.3656	3.5943	1.6600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.157	C1	C2	H8	119.467
C1	C6	C5	120.157	C1	C6	H12	119.467
C1	N7	H13	110.406	C1	N7	H14	110.406
C2	C1	C6	119.236	C2	C1	N7	120.332
C2	C3	C4	120.518	C2	C3	H9	119.512
C3	C2	H8	120.376	C3	C4	C5	119.413
C3	C4	H10	120.294	C4	C3	H9	119.970
C4	C5	C6	120.518	C4	C5	H11	119.970
C5	C4	H10	120.294	C5	C6	H12	120.376
C6	C1	N7	120.332	C6	C5	H11	119.512
H13	N7	H14	107.592

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)