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	hartrees
Energy at 0K	-46.560190
Energy at 298.15K	-46.568436
Nuclear repulsion energy	138.541695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3875	3493	48.30
2	A₁	3419	3082	29.19
3	A₁	3386	3052	29.24
4	A₁	3358	3027	20.41
5	A₁	1821	1642	204.30
6	A₁	1794	1617	91.72
7	A₁	1653	1490	103.85
8	A₁	1398	1260	100.03
9	A₁	1303	1175	15.61
10	A₁	1119	1008	4.61
11	A₁	1069	964	5.43
12	A₁	878	791	13.70
13	A₁	567	511	0.40
14	A₂	1127	1016	0.00
15	A₂	964	869	0.00
16	A₂	457	412	0.00
17	A₂	319	288	0.00
18	B₁	1141	1029	2.12
19	B₁	1028	926	22.45
20	B₁	876	790	157.99
21	B₁	774	698	20.01
22	B₁	572	516	9.65
23	B₁	325	293	427.84
24	B₁	244	220	28.56
25	B₂	4023	3626	28.63
26	B₂	3396	3061	98.80
27	B₂	3366	3034	0.92
28	B₂	1776	1601	16.25
29	B₂	1617	1457	1.65
30	B₂	1488	1341	0.60
31	B₂	1394	1257	16.64
32	B₂	1269	1144	8.38
33	B₂	1208	1089	16.24
34	B₂	1112	1002	0.35
35	B₂	673	607	0.40
36	B₂	401	361	2.29

Atom	y (Å)	z (Å)
C1	0.000	0.915
C2	1.221	0.195
C3	1.213	-1.212
C4	0.000	-1.930
C5	-1.213	-1.212
C6	-1.221	0.195
N7	0.000	2.315
H8	2.158	0.729
H9	2.152	-1.742
H10	0.000	-3.007
H11	-2.152	-1.742
H12	-2.158	0.729
H13	-0.853	2.826
H14	0.853	2.826

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.4175	2.4482	2.8453	2.4482	1.4175	1.3997	2.1655	3.4186	3.9214	3.4186	2.1655	2.0926	2.0926
C2	1.4175		1.4069	2.4516	2.8118	2.4426	2.4460	1.0779	2.1487	3.4268	3.8897	3.4208	3.3500	2.6559
C3	2.4482	1.4069		1.4102	2.4265	2.8118	3.7291	2.1585	1.0779	2.1665	3.4066	3.8897	4.5353	4.0531
C4	2.8453	2.4516	1.4102		1.4102	2.4516	4.2450	3.4249	2.1602	1.0761	2.1602	3.4249	4.8319	4.8319
C5	2.4482	2.8118	2.4265	1.4102		1.4069	3.7291	3.8897	3.4066	2.1665	1.0779	2.1585	4.0531	4.5353
C6	1.4175	2.4426	2.8118	2.4516	1.4069		2.4460	3.4208	3.8897	3.4268	2.1487	1.0779	2.6559	3.3500
N7	1.3997	2.4460	3.7291	4.2450	3.7291	2.4460		2.6773	4.5915	5.3211	4.5915	2.6773	0.9946	0.9946
H8	2.1655	1.0779	2.1585	3.4249	3.8897	3.4208	2.6773		2.4709	4.3142	4.9676	4.3151	3.6687	2.4688
H9	3.4186	2.1487	1.0779	2.1602	3.4066	3.8897	4.5915	2.4709		2.4962	4.3038	4.9676	5.4671	4.7480
H10	3.9214	3.4268	2.1665	1.0761	2.1665	3.4268	5.3211	4.3142	2.4962		2.4962	4.3142	5.8942	5.8942
H11	3.4186	3.8897	3.4066	2.1602	1.0779	2.1487	4.5915	4.9676	4.3038	2.4962		2.4709	4.7480	5.4671
H12	2.1655	3.4208	3.8897	3.4249	2.1585	1.0779	2.6773	4.3151	4.9676	4.3142	2.4709		2.4688	3.6687
H13	2.0926	3.3500	4.5353	4.8319	4.0531	2.6559	0.9946	3.6687	5.4671	5.8942	4.7480	2.4688		1.7067
H14	2.0926	2.6559	4.0531	4.8319	4.5353	3.3500	0.9946	2.4688	4.7480	5.8942	5.4671	3.6687	1.7067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.180	C1	C2	H8	119.788
C1	C6	C5	120.180	C1	C6	H12	119.788
C1	N7	H13	120.911	C1	N7	H14	120.911
C2	C1	C6	118.985	C2	C1	N7	120.508
C2	C3	C4	120.974	C2	C3	H9	119.119
C3	C2	H8	120.032	C3	C4	C5	118.708
C3	C4	H10	120.646	C4	C3	H9	119.907
C4	C5	C6	120.974	C4	C5	H11	119.907
C5	C4	H10	120.646	C5	C6	H12	120.032
C6	C1	N7	120.508	C6	C5	H11	119.119
H13	N7	H14	118.178

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/CEP-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	0.089
2	C	-0.287
3	C	-0.276
4	C	-0.270
5	C	-0.276
6	C	-0.287
7	N	-0.604
8	H	0.248
9	H	0.239
10	H	0.253
11	H	0.239
12	H	0.248
13	H	0.341
14	H	0.341

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)