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	hartrees
Energy at 0K	-285.661632
Energy at 298.15K	-285.669946
Nuclear repulsion energy	271.670770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3872	3486	59.07
2	A₁	3417	3077	22.97
3	A₁	3388	3051	14.60
4	A₁	3368	3033	23.16
5	A₁	1830	1648	170.53
6	A₁	1796	1617	127.94
7	A₁	1660	1495	103.22
8	A₁	1414	1273	94.69
9	A₁	1316	1185	16.33
10	A₁	1124	1012	2.70
11	A₁	1085	977	9.14
12	A₁	888	799	12.61
13	A₁	582	524	0.55
14	A₂	1122	1010	0.00
15	A₂	952	857	0.00
16	A₂	464	418	0.00
17	A₂	334	300	0.00
18	B₁	1143	1029	3.26
19	B₁	1021	919	20.50
20	B₁	872	786	126.64
21	B₁	787	709	42.90
22	B₁	577	519	15.31
23	B₁	336	303	401.56
24	B₁	245	220	26.16
25	B₂	4017	3617	32.99
26	B₂	3396	3058	70.52
27	B₂	3370	3034	4.30
28	B₂	1774	1597	18.60
29	B₂	1625	1463	1.84
30	B₂	1503	1354	0.62
31	B₂	1380	1243	11.74
32	B₂	1279	1152	11.75
33	B₂	1218	1097	18.52
34	B₂	1121	1009	0.29
35	B₂	690	622	0.43
36	B₂	409	368	2.45

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	2.325
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	2.835
H14	0.850	2.835

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.4034	2.4251	2.8183	2.4251	1.4034	1.3901	2.1480	3.3914	3.8900	3.3914	2.1480	2.0816	2.0816
C2	1.4034		1.3922	2.4257	2.7820	2.4156	2.4268	1.0737	2.1324	3.3972	3.8551	3.3901	3.3275	2.6391
C3	2.4251	1.3922		1.3957	2.4016	2.7820	3.6975	2.1416	1.0731	2.1497	3.3773	3.8557	4.5014	4.0223
C4	2.8183	2.4257	1.3957		1.3957	2.4257	4.2085	3.3954	2.1428	1.0717	2.1428	3.3954	4.7944	4.7944
C5	2.4251	2.7820	2.4016	1.3957		1.3922	3.6975	3.8557	3.3773	2.1497	1.0731	2.1416	4.0223	4.5014
C6	1.4034	2.4156	2.7820	2.4257	1.3922		2.4268	3.3901	3.8551	3.3972	2.1324	1.0737	2.6391	3.3275
N7	1.3901	2.4268	3.6975	4.2085	3.6975	2.4268		2.6558	4.5563	5.2801	4.5563	2.6558	0.9914	0.9914
H8	2.1480	1.0737	2.1416	3.3954	3.8557	3.3901	2.6558		2.4527	4.2810	4.9288	4.2804	3.6441	2.4496
H9	3.3914	2.1324	1.0731	2.1428	3.3773	3.8551	4.5563	2.4527		2.4765	4.2699	4.9288	5.4294	4.7136
H10	3.8900	3.3972	2.1497	1.0717	2.1497	3.3972	5.2801	4.2810	2.4765		2.4765	4.2810	5.8522	5.8522
H11	3.3914	3.8551	3.3773	2.1428	1.0731	2.1324	4.5563	4.9288	4.2699	2.4765		2.4527	4.7136	5.4294
H12	2.1480	3.3901	3.8557	3.3954	2.1416	1.0737	2.6558	4.2804	4.9288	4.2810	2.4527		2.4496	3.6441
H13	2.0816	3.3275	4.5014	4.7944	4.0223	2.6391	0.9914	3.6441	5.4294	5.8522	4.7136	2.4496		1.7004
H14	2.0816	2.6391	4.0223	4.7944	4.5014	3.3275	0.9914	2.4496	4.7136	5.8522	5.4294	3.6441	1.7004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.327	C1	C2	H8	119.662
C1	C6	C5	120.327	C1	C6	H12	119.662
C1	N7	H13	120.955	C1	N7	H14	120.955
C2	C1	C6	118.771	C2	C1	N7	120.614
C2	C3	C4	120.933	C2	C3	H9	119.194
C3	C2	H8	120.011	C3	C4	C5	118.710
C3	C4	H10	120.645	C4	C3	H9	119.874
C4	C5	C6	120.933	C4	C5	H11	119.874
C5	C4	H10	120.645	C5	C6	H12	120.011
C6	C1	N7	120.614	C6	C5	H11	119.194
H13	N7	H14	118.090

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/SDD

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	0.552
2	C	-0.390
3	C	-0.162
4	C	-0.284
5	C	-0.162
6	C	-0.390
7	N	-0.905
8	H	0.207
9	H	0.205
10	H	0.214
11	H	0.205
12	H	0.207
13	H	0.352
14	H	0.352

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)