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	hartrees
Energy at 0K	-285.730822
Energy at 298.15K	-285.739249
HF Energy	-285.730822
Nuclear repulsion energy	273.072951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3403	15.92
2	A'	3387	3044	22.31
3	A'	3363	3021	8.29
4	A'	3345	3006	18.72
5	A'	1843	1656	118.61
6	A'	1807	1623	44.97
7	A'	1673	1503	67.28
8	A'	1395	1253	56.77
9	A'	1299	1167	8.61
10	A'	1130	1016	1.98
11	A'	1109	996	0.84
12	A'	1084	974	1.07
13	A'	992	891	20.36
14	A'	892	802	15.68
15	A'	848	762	120.28
16	A'	773	694	11.11
17	A'	723	650	296.38
18	A'	574	516	1.63
19	A'	555	499	48.46
20	A'	247	222	5.93
21	A"	3886	3492	12.61
22	A"	3370	3028	56.65
23	A"	3347	3007	4.26
24	A"	1791	1610	10.58
25	A"	1640	1474	4.25
26	A"	1496	1345	0.00
27	A"	1360	1222	5.78
28	A"	1258	1131	2.06
29	A"	1196	1074	17.81
30	A"	1153	1036	0.18
31	A"	1087	977	0.01
32	A"	927	833	0.06
33	A"	681	612	0.26
34	A"	457	411	0.36
35	A"	411	370	0.39
36	A"	250	225	28.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.928	0.000
C2	0.006	0.220	1.196
C3	0.006	-1.161	1.190
C4	0.005	-1.866	0.000
C5	0.006	-1.161	-1.190
C6	0.006	0.220	-1.196
N7	0.057	2.321	0.000
H8	0.012	0.754	2.129
H9	0.006	-1.689	2.126
H10	0.005	-2.939	0.000
H11	0.006	-1.689	-2.126
H12	0.012	0.754	-2.129
H13	-0.324	2.742	-0.818
H14	-0.324	2.742	0.818

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3901	2.4042	2.7939	2.4042	1.3901	1.3943	2.1360	3.3715	3.8673	3.3715	2.1360	2.0171	2.0171
C2	1.3901		1.3808	2.4042	2.7567	2.3922	2.4188	1.0753	2.1230	3.3778	3.8311	3.3678	3.2446	2.5716
C3	2.4042	1.3808		1.3829	2.3798	2.7567	3.6806	2.1334	1.0744	2.1395	3.3574	3.8320	4.4017	3.9345
C4	2.7939	2.4042	1.3829		1.3829	2.4042	4.1876	3.3762	2.1331	1.0734	2.1331	3.3762	4.6914	4.6914
C5	2.4042	2.7567	2.3798	1.3829		1.3808	3.6806	3.8320	3.3574	2.1395	1.0744	2.1334	3.9345	4.4017
C6	1.3901	2.3922	2.7567	2.4042	1.3808		2.4188	3.3678	3.8311	3.3778	2.1230	1.0753	2.5716	3.2446
N7	1.3943	2.4188	3.6806	4.1876	3.6806	2.4188		2.6438	4.5392	5.2609	4.5392	2.6438	0.9957	0.9957
H8	2.1360	1.0753	2.1334	3.3762	3.8320	3.3678	2.6438		2.4435	4.2634	4.9064	4.2579	3.5705	2.4042
H9	3.3715	2.1230	1.0744	2.1331	3.3574	3.8311	4.5392	2.4435		2.4662	4.2514	4.9064	5.3299	4.6315
H10	3.8673	3.3778	2.1395	1.0734	2.1395	3.3778	5.2609	4.2634	2.4662		2.4662	4.2634	5.7492	5.7492
H11	3.3715	3.8311	3.3574	2.1331	1.0744	2.1230	4.5392	4.9064	4.2514	2.4662		2.4435	4.6315	5.3299
H12	2.1360	3.3678	3.8320	3.3762	2.1334	1.0753	2.6438	4.2579	4.9064	4.2634	2.4435		2.4042	3.5705
H13	2.0171	3.2446	4.4017	4.6914	3.9345	2.5716	0.9957	3.5705	5.3299	5.7492	4.6315	2.4042		1.6365
H14	2.0171	2.5716	3.9345	4.6914	4.4017	3.2446	0.9957	2.4042	4.6315	5.7492	5.3299	3.5705	1.6365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.377	C1	C2	H8	119.541
C1	C6	C5	120.377	C1	C6	H12	119.541
C1	N7	H13	114.084	C1	N7	H14	114.084
C2	C1	C6	118.732	C2	C1	N7	120.612
C2	C3	C4	120.893	C2	C3	H9	119.168
C3	C2	H8	120.081	C3	C4	C5	118.727
C3	C4	H10	120.636	C4	C3	H9	119.939
C4	C5	C6	120.893	C4	C5	H11	119.939
C5	C4	H10	120.636	C5	C6	H12	120.081
C6	C1	N7	120.612	C6	C5	H11	119.168
H13	N7	H14	110.525

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	0.297
2	C	-0.254
3	C	-0.179
4	C	-0.232
5	C	-0.179
6	C	-0.254
7	N	-0.889
8	H	0.192
9	H	0.198
10	H	0.194
11	H	0.198
12	H	0.192
13	H	0.359
14	H	0.359

	x	y	z	Total
	-1.290	0.838	0.000	1.538
CHELPG
AIM
ESP

	x	y	z
x	3.588	-0.143	-0.002
y	-0.143	12.312	-0.000
z	-0.002	-0.000	10.738

<r²>	190.044
(<r²>)^1/2	13.786

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)