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	hartrees
Energy at 0K	-286.086532
Energy at 298.15K	-286.094265
HF Energy	-286.086532
Nuclear repulsion energy	272.935966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3473	42.16
2	A'	3134	3098	4.35
3	A'	3110	3075	0.45
4	A'	3091	3055	15.45
5	A'	1652	1633	163.40
6	A'	1579	1561	105.98
7	A'	1508	1490	56.55
8	A'	1316	1301	30.62
9	A'	1160	1146	9.62
10	A'	1039	1027	5.30
11	A'	990	979	1.42
12	A'	897	886	0.02
13	A'	833	824	4.76
14	A'	826	816	5.53
15	A'	723	714	68.59
16	A'	641	634	20.55
17	A'	529	523	0.06
18	A'	489	483	10.17
19	A'	401	397	299.46
20	A'	208	205	6.64
21	A"	3624	3582	26.95
22	A"	3114	3079	14.17
23	A"	3091	3055	3.32
24	A"	1614	1595	6.11
25	A"	1471	1454	0.43
26	A"	1404	1388	10.13
27	A"	1307	1292	0.04
28	A"	1140	1127	0.96
29	A"	1096	1084	9.70
30	A"	1023	1011	1.59
31	A"	882	872	0.00
32	A"	780	771	0.10
33	A"	621	614	0.48
34	A"	398	393	0.28
35	A"	373	369	0.01
36	A"	334	330	12.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	0.930	0.000
C2	0.006	0.221	1.199
C3	0.006	-1.161	1.194
C4	0.005	-1.865	0.000
C5	0.006	-1.161	-1.194
C6	0.006	0.221	-1.199
N7	0.055	2.313	0.000
H8	0.013	0.766	2.147
H9	0.006	-1.698	2.145
H10	0.005	-2.957	0.000
H11	0.006	-1.698	-2.145
H12	0.013	0.766	-2.147
H13	-0.293	2.761	-0.845
H14	-0.293	2.761	0.845

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3931	2.4081	2.7958	2.4081	1.3931	1.3841	2.1537	3.3929	3.8871	3.3929	2.1537	2.0377	2.0377
C2	1.3931		1.3821	2.4063	2.7630	2.3978	2.4120	1.0939	2.1398	3.3963	3.8558	3.3904	3.2743	2.5822
C3	2.4081	1.3821		1.3859	2.3873	2.7630	3.6741	2.1502	1.0928	2.1561	3.3819	3.8569	4.4307	3.9492
C4	2.7958	2.4063	1.3859		1.3859	2.4063	4.1790	3.3964	2.1518	1.0913	2.1518	3.3964	4.7127	4.7127
C5	2.4081	2.7630	2.3873	1.3859		1.3821	3.6741	3.8569	3.3819	2.1561	1.0928	2.1502	3.9492	4.4307
C6	1.3931	2.3978	2.7630	2.4063	1.3821		2.4120	3.3904	3.8558	3.3963	2.1398	1.0939	2.5822	3.2743
N7	1.3841	2.4120	3.6741	4.1790	3.6741	2.4120		2.6471	4.5494	5.2702	4.5494	2.6471	1.0178	1.0178
H8	2.1537	1.0939	2.1502	3.3964	3.8569	3.3904	2.6471		2.4642	4.2976	4.9497	4.2947	3.6097	2.4022
H9	3.3929	2.1398	1.0928	2.1518	3.3819	3.8558	4.5494	2.4642		2.4872	4.2907	4.9497	5.3777	4.6547
H10	3.8871	3.3963	2.1561	1.0913	2.1561	3.3963	5.2702	4.2976	2.4872		2.4872	4.2976	5.7878	5.7878
H11	3.3929	3.8558	3.3819	2.1518	1.0928	2.1398	4.5494	4.9497	4.2907	2.4872		2.4642	4.6547	5.3777
H12	2.1537	3.3904	3.8569	3.3964	2.1502	1.0939	2.6471	4.2947	4.9497	4.2976	2.4642		2.4022	3.6097
H13	2.0377	3.2743	4.4307	4.7127	3.9492	2.5822	1.0178	3.6097	5.3777	5.7878	4.6547	2.4022		1.6903
H14	2.0377	2.5822	3.9492	4.7127	4.4307	3.2743	1.0178	2.4022	4.6547	5.7878	5.3777	3.6097	1.6903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.395	C1	C2	H8	119.500
C1	C6	C5	120.395	C1	C6	H12	119.500
C1	N7	H13	115.220	C1	N7	H14	115.220
C2	C1	C6	118.770	C2	C1	N7	120.575
C2	C3	C4	120.760	C2	C3	H9	119.216
C3	C2	H8	120.105	C3	C4	C5	118.918
C3	C4	H10	120.541	C4	C3	H9	120.023
C4	C5	C6	120.760	C4	C5	H11	120.023
C5	C4	H10	120.541	C5	C6	H12	120.105
C6	C1	N7	120.575	C6	C5	H11	119.216
H13	N7	H14	112.274

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: SVWN/TZVP

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	0.080
2	C	-0.177
3	C	-0.165
4	C	-0.170
5	C	-0.165
6	C	-0.177
7	N	-0.434
8	H	0.149
9	H	0.140
10	H	0.143
11	H	0.140
12	H	0.149
13	H	0.243
14	H	0.243

	x	y	z	Total
	-0.760	1.800	0.000	1.954
CHELPG
AIM
ESP

	x	y	z
x	6.364	-0.029	0.000
y	-0.029	15.132	0.000
z	0.000	0.000	12.427

<r²>	190.095
(<r²>)^1/2	13.788

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)