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	hartrees
Energy at 0K	-287.427283
Energy at 298.15K	-287.420474
HF Energy	-287.626164
Nuclear repulsion energy	271.541874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3436	12.87
2	A'	3201	3089	14.77
3	A'	3177	3065	3.63
4	A'	3159	3049	17.72
5	A'	1662	1604	122.60
6	A'	1646	1588	12.68
7	A'	1534	1480	56.79
8	A'	1309	1263	50.46
9	A'	1201	1159	7.45
10	A'	1051	1014	1.80
11	A'	1008	972	0.60
12	A'	971	937	0.41
13	A'	885	854	9.79
14	A'	832	803	2.48
15	A'	773	746	57.33
16	A'	711	686	11.43
17	A'	621	599	269.77
18	A'	534	515	3.11
19	A'	510	492	51.67
20	A'	224	217	4.51
21	A"	3658	3530	10.45
22	A"	3182	3070	38.67
23	A"	3161	3050	3.93
24	A"	1627	1570	4.35
25	A"	1501	1448	2.54
26	A"	1359	1312	0.70
27	A"	1352	1305	7.29
28	A"	1179	1138	1.51
29	A"	1139	1099	3.03
30	A"	1069	1031	2.07
31	A"	941	908	0.00
32	A"	836	807	0.08
33	A"	632	609	0.24
34	A"	416	402	0.23
35	A"	382	369	0.09
36	A"	295	284	18.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.937	0.000
C2	0.003	0.221	1.205
C3	0.003	-1.169	1.200
C4	0.003	-1.878	0.000
C5	0.003	-1.169	-1.200
C6	0.003	0.221	-1.205
N7	0.066	2.333	0.000
H8	0.006	0.763	2.147
H9	0.001	-1.702	2.145
H10	0.002	-2.962	0.000
H11	0.001	-1.702	-2.145
H12	0.006	0.763	-2.147
H13	-0.302	2.770	-0.833
H14	-0.302	2.770	0.833

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.4018	2.4238	2.8144	2.4238	1.4018	1.3978	2.1538	3.4012	3.8984	3.4012	2.1538	2.0366	2.0366
C2	1.4018		1.3900	2.4198	2.7778	2.4104	2.4328	1.0864	2.1407	3.4029	3.8633	3.3954	3.2779	2.5941
C3	2.4238	1.3900		1.3933	2.3997	2.7778	3.7028	2.1515	1.0855	2.1569	3.3875	3.8642	4.4432	3.9679
C4	2.8144	2.4198	1.3933		1.3933	2.4198	4.2112	3.4029	2.1526	1.0840	2.1526	3.4029	4.7313	4.7313
C5	2.4238	2.7778	2.3997	1.3933		1.3900	3.7028	3.8642	3.3875	2.1569	1.0855	2.1515	3.9679	4.4432
C6	1.4018	2.4104	2.7778	2.4198	1.3900		2.4328	3.3954	3.8633	3.4029	2.1407	1.0864	2.5941	3.2779
N7	1.3978	2.4328	3.7028	4.2112	3.7028	2.4328		2.6605	4.5709	5.2952	4.5709	2.6605	1.0099	1.0099
H8	2.1538	1.0864	2.1515	3.4029	3.8642	3.3954	2.6605		2.4651	4.2987	4.9497	4.2934	3.6058	2.4185
H9	3.4012	2.1407	1.0855	2.1526	3.3875	3.8633	4.5709	2.4651		2.4877	4.2909	4.9497	5.3817	4.6706
H10	3.8984	3.4029	2.1569	1.0840	2.1569	3.4029	5.2952	4.2987	2.4877		2.4877	4.2987	5.7996	5.7996
H11	3.4012	3.8633	3.3875	2.1526	1.0855	2.1407	4.5709	4.9497	4.2909	2.4877		2.4651	4.6706	5.3817
H12	2.1538	3.3954	3.8642	3.4029	2.1515	1.0864	2.6605	4.2934	4.9497	4.2987	2.4651		2.4185	3.6058
H13	2.0366	3.2779	4.4432	4.7313	3.9679	2.5941	1.0099	3.6058	5.3817	5.7996	4.6706	2.4185		1.6659
H14	2.0366	2.5941	3.9679	4.7313	4.4432	3.2779	1.0099	2.4185	4.6706	5.7996	5.3817	3.6058	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.473	C1	C2	H8	119.443
C1	C6	C5	120.473	C1	C6	H12	119.443
C1	N7	H13	114.608	C1	N7	H14	114.608
C2	C1	C6	118.627	C2	C1	N7	120.655
C2	C3	C4	120.764	C2	C3	H9	119.194
C3	C2	H8	120.083	C3	C4	C5	118.898
C3	C4	H10	120.551	C4	C3	H9	120.041
C4	C5	C6	120.764	C4	C5	H11	120.041
C5	C4	H10	120.551	C5	C6	H12	120.083
C6	C1	N7	120.655	C6	C5	H11	119.194
H13	N7	H14	111.172

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: G4

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	0.336
2	C	-0.178
3	C	-0.080
4	C	-0.140
5	C	-0.080
6	C	-0.178
7	N	-0.591
8	H	0.078
9	H	0.090
10	H	0.087
11	H	0.090
12	H	0.078
13	H	0.244
14	H	0.244

	x	y	z	Total
	-1.012	1.274	0.000	1.627
CHELPG
AIM
ESP

<r²>	191.458
(<r²>)^1/2	13.837

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: G4

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)