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	hartrees
Energy at 0K	-285.633043
Energy at 298.15K	-285.641499
Nuclear repulsion energy	272.944501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3870	3494	50.29
2	A₁	3388	3059	19.50
3	A₁	3361	3034	11.98
4	A₁	3342	3017	19.45
5	A₁	1842	1664	154.84
6	A₁	1809	1633	101.47
7	A₁	1681	1518	95.74
8	A₁	1430	1291	90.25
9	A₁	1325	1196	13.71
10	A₁	1140	1029	0.59
11	A₁	1106	999	8.39
12	A₁	903	815	11.65
13	A₁	593	535	0.40
14	A₂	1131	1022	0.00
15	A₂	956	863	0.00
16	A₂	471	425	0.00
17	A₂	348	314	0.00
18	B₁	1163	1050	3.65
19	B₁	1032	932	32.09
20	B₁	877	792	131.09
21	B₁	792	715	25.26
22	B₁	583	526	1.13
23	B₁	384	347	455.47
24	B₁	250	225	17.41
25	B₂	4003	3615	32.46
26	B₂	3367	3040	58.68
27	B₂	3344	3019	2.84
28	B₂	1785	1611	15.46
29	B₂	1649	1489	2.04
30	B₂	1523	1375	0.49
31	B₂	1388	1253	10.39
32	B₂	1288	1163	11.18
33	B₂	1231	1111	14.25
34	B₂	1134	1024	1.09
35	B₂	705	636	0.30
36	B₂	416	376	2.13

Atom	y (Å)	z (Å)
C1	0.000	0.932
C2	1.201	0.219
C3	1.195	-1.166
C4	0.000	-1.873
C5	-1.195	-1.166
C6	-1.201	0.219
N7	0.000	2.312
H8	2.134	0.752
H9	2.130	-1.694
H10	0.000	-2.945
H11	-2.130	-1.694
H12	-2.134	0.752
H13	-0.847	2.823
H14	0.847	2.823

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3970	2.4138	2.8044	2.4138	1.3970	1.3805	2.1415	3.3805	3.8768	3.3805	2.1415	2.0719	2.0719
C2	1.3970		1.3847	2.4121	2.7673	2.4029	2.4136	1.0743	2.1259	3.3844	3.8410	3.3778	3.3130	2.6275
C3	2.4138	1.3847		1.3880	2.3890	2.7673	3.6774	2.1358	1.0738	2.1431	3.3657	3.8416	4.4805	4.0033
C4	2.8044	2.4121	1.3880		1.3880	2.4121	4.1849	3.3830	2.1370	1.0724	2.1370	3.3830	4.7710	4.7710
C5	2.4138	2.7673	2.3890	1.3880		1.3847	3.6774	3.8416	3.3657	2.1431	1.0738	2.1358	4.0033	4.4805
C6	1.3970	2.4029	2.7673	2.4121	1.3847		2.4136	3.3778	3.8410	3.3844	2.1259	1.0743	2.6275	3.3130
N7	1.3805	2.4136	3.6774	4.1849	3.6774	2.4136		2.6434	4.5368	5.2573	4.5368	2.6434	0.9891	0.9891
H8	2.1415	1.0743	2.1358	3.3830	3.8416	3.3778	2.6434		2.4460	4.2690	4.9154	4.2680	3.6296	2.4374
H9	3.3805	2.1259	1.0738	2.1370	3.3657	3.8410	4.5368	2.4460		2.4700	4.2590	4.9154	5.4090	4.6947
H10	3.8768	3.3844	2.1431	1.0724	2.1431	3.3844	5.2573	4.2690	2.4700		2.4700	4.2690	5.8294	5.8294
H11	3.3805	3.8410	3.3657	2.1370	1.0738	2.1259	4.5368	4.9154	4.2590	2.4700		2.4460	4.6947	5.4090
H12	2.1415	3.3778	3.8416	3.3830	2.1358	1.0743	2.6434	4.2680	4.9154	4.2690	2.4460		2.4374	3.6296
H13	2.0719	3.3130	4.4805	4.7710	4.0033	2.6275	0.9891	3.6296	5.4090	5.8294	4.6947	2.4374		1.6947
H14	2.0719	2.6275	4.0033	4.7710	4.4805	3.3130	0.9891	2.4374	4.6947	5.8294	5.4090	3.6296	1.6947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.394	C1	C2	H8	119.553
C1	C6	C5	120.394	C1	C6	H12	119.553
C1	N7	H13	121.054	C1	N7	H14	121.054
C2	C1	C6	118.638	C2	C1	N7	120.681
C2	C3	C4	120.905	C2	C3	H9	119.166
C3	C2	H8	120.053	C3	C4	C5	118.764
C3	C4	H10	120.618	C4	C3	H9	119.929
C4	C5	C6	120.905	C4	C5	H11	119.929
C5	C4	H10	120.618	C5	C6	H12	120.053
C6	C1	N7	120.681	C6	C5	H11	119.166
H13	N7	H14	117.891

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/6-31G

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	0.377
2	C	-0.239
3	C	-0.178
4	C	-0.229
5	C	-0.178
6	C	-0.239
7	N	-1.000
8	H	0.190
9	H	0.195
10	H	0.191
11	H	0.195
12	H	0.190
13	H	0.363
14	H	0.363

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)