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	hartrees
Energy at 0K	-285.660705
Energy at 298.15K	-285.669024
Nuclear repulsion energy	271.631629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3871	3483	58.38
2	A₁	3418	3076	23.46
3	A₁	3388	3049	15.18
4	A₁	3369	3032	23.42
5	A₁	1830	1647	170.20
6	A₁	1796	1616	127.21
7	A₁	1660	1494	102.70
8	A₁	1414	1272	94.78
9	A₁	1315	1184	16.28
10	A₁	1124	1012	2.75
11	A₁	1085	977	9.09
12	A₁	888	799	12.66
13	A₁	582	524	0.55
14	A₂	1123	1010	0.00
15	A₂	952	857	0.00
16	A₂	464	418	0.00
17	A₂	336	303	0.00
18	B₁	1143	1029	3.29
19	B₁	1022	919	20.43
20	B₁	872	785	127.57
21	B₁	787	708	42.48
22	B₁	576	519	15.23
23	B₁	340	306	404.63
24	B₁	245	220	23.98
25	B₂	4016	3614	32.69
26	B₂	3397	3057	72.32
27	B₂	3370	3033	4.50
28	B₂	1775	1597	18.42
29	B₂	1625	1462	1.80
30	B₂	1503	1353	0.62
31	B₂	1382	1243	11.90
32	B₂	1279	1151	11.60
33	B₂	1218	1096	18.45
34	B₂	1122	1009	0.28
35	B₂	690	621	0.43
36	B₂	409	368	2.44

Atom	y (Å)	z (Å)
C1	0.000	0.935
C2	1.208	0.221
C3	1.201	-1.172
C4	0.000	-1.883
C5	-1.201	-1.172
C6	-1.208	0.221
N7	0.000	2.326
H8	2.140	0.753
H9	2.135	-1.700
H10	0.000	-2.955
H11	-2.135	-1.700
H12	-2.140	0.753
H13	-0.850	2.836
H14	0.850	2.836

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.4036	2.4254	2.8188	2.4254	1.4036	1.3902	2.1482	3.3918	3.8905	3.3918	2.1482	2.0818	2.0818
C2	1.4036		1.3924	2.4261	2.7826	2.4160	2.4270	1.0738	2.1327	3.3978	3.8557	3.3906	3.3279	2.6393
C3	2.4254	1.3924		1.3961	2.4022	2.7826	3.6979	2.1419	1.0732	2.1501	3.3779	3.8563	4.5019	4.0227
C4	2.8188	2.4261	1.3961		1.3961	2.4261	4.2090	3.3960	2.1432	1.0718	2.1432	3.3960	4.7949	4.7949
C5	2.4254	2.7826	2.4022	1.3961		1.3924	3.6979	3.8563	3.3779	2.1501	1.0732	2.1419	4.0227	4.5019
C6	1.4036	2.4160	2.7826	2.4261	1.3924		2.4270	3.3906	3.8557	3.3978	2.1327	1.0738	2.6393	3.3279
N7	1.3902	2.4270	3.6979	4.2090	3.6979	2.4270		2.6560	4.5568	5.2807	4.5568	2.6560	0.9915	0.9915
H8	2.1482	1.0738	2.1419	3.3960	3.8563	3.3906	2.6560		2.4530	4.2817	4.9295	4.2809	3.6444	2.4497
H9	3.3918	2.1327	1.0732	2.1432	3.3779	3.8557	4.5568	2.4530		2.4769	4.2706	4.9295	5.4300	4.7140
H10	3.8905	3.3978	2.1501	1.0718	2.1501	3.3978	5.2807	4.2817	2.4769		2.4769	4.2817	5.8528	5.8528
H11	3.3918	3.8557	3.3779	2.1432	1.0732	2.1327	4.5568	4.9295	4.2706	2.4769		2.4530	4.7140	5.4300
H12	2.1482	3.3906	3.8563	3.3960	2.1419	1.0738	2.6560	4.2809	4.9295	4.2817	2.4530		2.4497	3.6444
H13	2.0818	3.3279	4.5019	4.7949	4.0227	2.6393	0.9915	3.6444	5.4300	5.8528	4.7140	2.4497		1.7007
H14	2.0818	2.6393	4.0227	4.7949	4.5019	3.3279	0.9915	2.4497	4.7140	5.8528	5.4300	3.6444	1.7007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.326	C1	C2	H8	119.660
C1	C6	C5	120.326	C1	C6	H12	119.660
C1	N7	H13	120.952	C1	N7	H14	120.952
C2	C1	C6	118.777	C2	C1	N7	120.611
C2	C3	C4	120.930	C2	C3	H9	119.195
C3	C2	H8	120.014	C3	C4	C5	118.711
C3	C4	H10	120.645	C4	C3	H9	119.876
C4	C5	C6	120.930	C4	C5	H11	119.876
C5	C4	H10	120.645	C5	C6	H12	120.014
C6	C1	N7	120.611	C6	C5	H11	119.195
H13	N7	H14	118.097

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/LANL2DZ

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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Number	Element	Mulliken
1	C	0.513
2	C	-0.377
3	C	-0.160
4	C	-0.276
5	C	-0.160
6	C	-0.377
7	N	-0.893
8	H	0.204
9	H	0.204
10	H	0.212
11	H	0.204
12	H	0.204
13	H	0.351
14	H	0.351

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)