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	hartrees
Energy at 0K	-285.784657
Energy at 298.15K	-285.793054
Nuclear repulsion energy	273.217227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3808	3444	10.24
2	A'	3365	3043	24.96
3	A'	3339	3020	11.57
4	A'	3322	3004	20.95
5	A'	1859	1681	106.64
6	A'	1796	1624	69.48
7	A'	1662	1503	68.75
8	A'	1384	1252	56.86
9	A'	1291	1168	9.58
10	A'	1121	1014	2.69
11	A'	1091	987	0.48
12	A'	1078	975	1.33
13	A'	982	888	22.24
14	A'	887	802	13.89
15	A'	843	763	126.18
16	A'	767	694	20.88
17	A'	726	657	281.53
18	A'	573	518	1.85
19	A'	553	501	55.26
20	A'	244	220	6.54
21	A"	3899	3526	7.92
22	A"	3348	3028	65.94
23	A"	3324	3006	5.45
24	A"	1780	1609	11.42
25	A"	1630	1474	4.36
26	A"	1491	1348	0.02
27	A"	1354	1224	5.55
28	A"	1251	1131	1.68
29	A"	1181	1068	20.37
30	A"	1144	1035	0.44
31	A"	1075	972	0.04
32	A"	917	829	0.02
33	A"	680	615	0.31
34	A"	455	412	0.35
35	A"	409	370	0.51
36	A"	224	203	27.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.930	0.000
C2	0.006	0.220	1.197
C3	0.006	-1.163	1.191
C4	0.005	-1.869	0.000
C5	0.006	-1.163	-1.191
C6	0.006	0.220	-1.197
N7	0.057	2.326	0.000
H8	0.014	0.753	2.132
H9	0.007	-1.692	2.128
H10	0.005	-2.943	0.000
H11	0.007	-1.692	-2.128
H12	0.014	0.753	-2.132
H13	-0.321	2.747	-0.817
H14	-0.321	2.747	0.817

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3919	2.4082	2.7986	2.4082	1.3919	1.3972	2.1395	3.3767	3.8732	3.3767	2.1395	2.0189	2.0189
C2	1.3919		1.3827	2.4071	2.7598	2.3941	2.4233	1.0766	2.1260	3.3820	3.8356	3.3717	3.2484	2.5765
C3	2.4082	1.3827		1.3847	2.3827	2.7598	3.6872	2.1347	1.0759	2.1422	3.3616	3.8363	4.4079	3.9414
C4	2.7986	2.4071	1.3847		1.3847	2.4071	4.1951	3.3794	2.1359	1.0747	2.1359	3.3794	4.6989	4.6989
C5	2.4082	2.7598	2.3827	1.3847		1.3827	3.6872	3.8363	3.3616	2.1422	1.0759	2.1347	3.9414	4.4079
C6	1.3919	2.3941	2.7598	2.4071	1.3827		2.4233	3.3717	3.8356	3.3820	2.1260	1.0766	2.5765	3.2484
N7	1.3972	2.4233	3.6872	4.1951	3.6872	2.4233		2.6499	4.5468	5.2697	4.5468	2.6499	0.9941	0.9941
H8	2.1395	1.0766	2.1347	3.3794	3.8363	3.3717	2.6499		2.4446	4.2674	4.9121	4.2643	3.5759	2.4118
H9	3.3767	2.1260	1.0759	2.1359	3.3616	3.8356	4.5468	2.4446		2.4694	4.2570	4.9121	5.3372	4.6397
H10	3.8732	3.3820	2.1422	1.0747	2.1422	3.3820	5.2697	4.2674	2.4694		2.4694	4.2674	5.7580	5.7580
H11	3.3767	3.8356	3.3616	2.1359	1.0759	2.1260	4.5468	4.9121	4.2570	2.4694		2.4446	4.6397	5.3372
H12	2.1395	3.3717	3.8363	3.3794	2.1347	1.0766	2.6499	4.2643	4.9121	4.2674	2.4446		2.4118	3.5759
H13	2.0189	3.2484	4.4079	4.6989	3.9414	2.5765	0.9941	3.5759	5.3372	5.7580	4.6397	2.4118		1.6347
H14	2.0189	2.5765	3.9414	4.6989	4.4079	3.2484	0.9941	2.4118	4.6397	5.7580	5.3372	3.5759	1.6347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.442	C1	C2	H8	119.613
C1	C6	C5	120.442	C1	C6	H12	119.613
C1	N7	H13	114.132	C1	N7	H14	114.132
C2	C1	C6	118.641	C2	C1	N7	120.653
C2	C3	C4	120.878	C2	C3	H9	119.181
C3	C2	H8	119.943	C3	C4	C5	118.718
C3	C4	H10	120.641	C4	C3	H9	119.940
C4	C5	C6	120.878	C4	C5	H11	119.940
C5	C4	H10	120.641	C5	C6	H12	119.943
C6	C1	N7	120.653	C6	C5	H11	119.181
H13	N7	H14	110.616

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/6-311G*

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	ESP
1	C	0.353	0.512
2	C	-0.267	-0.381
3	C	-0.197	-0.090
4	C	-0.254	-0.206
5	C	-0.197	-0.090
6	C	-0.267	-0.381
7	N	-0.931	-0.920
8	H	0.215	0.193
9	H	0.214	0.145
10	H	0.211	0.140
11	H	0.214	0.145
12	H	0.215	0.193
13	H	0.345	0.370
14	H	0.345	0.370

	x	y	z	Total
	-1.228	0.931	0.000	1.541
CHELPG
AIM
ESP

	x	y	z
x	4.658	-0.109	0.000
y	-0.109	12.707	0.000
z	0.000	0.000	11.136

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)