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	hartrees
Energy at 0K	-286.061196
Energy at 298.15K	-286.069017
Nuclear repulsion energy	272.714974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3510	3474	36.40
2	A'	3131	3099	5.91
3	A'	3107	3075	0.50
4	A'	3087	3054	16.15
5	A'	1655	1638	154.96
6	A'	1579	1562	100.55
7	A'	1506	1490	48.37
8	A'	1317	1303	22.43
9	A'	1153	1141	8.38
10	A'	1036	1026	4.69
11	A'	987	977	0.94
12	A'	937	927	0.04
13	A'	841	832	8.01
14	A'	830	822	4.14
15	A'	737	730	43.78
16	A'	683	676	43.89
17	A'	527	521	0.31
18	A'	503	497	13.03
19	A'	435	430	314.51
20	A'	212	210	6.16
21	A"	3619	3581	23.56
22	A"	3111	3079	17.49
23	A"	3087	3055	3.96
24	A"	1614	1597	5.52
25	A"	1468	1452	0.60
26	A"	1405	1391	11.41
27	A"	1300	1287	0.02
28	A"	1132	1121	0.91
29	A"	1093	1082	8.72
30	A"	1026	1016	2.06
31	A"	914	905	0.00
32	A"	782	774	0.08
33	A"	618	612	0.44
34	A"	405	401	0.29
35	A"	371	367	0.03
36	A"	328	325	13.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.937	0.000
C2	0.002	0.220	1.199
C3	0.002	-1.162	1.194
C4	0.003	-1.868	0.000
C5	0.002	-1.162	-1.194
C6	0.002	0.220	-1.199
N7	0.051	2.308	0.000
H8	0.006	0.767	2.148
H9	0.000	-1.699	2.146
H10	0.002	-2.961	0.000
H11	0.000	-1.699	-2.146
H12	0.006	0.767	-2.148
H13	-0.230	2.780	-0.854
H14	-0.230	2.780	0.854

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3977	2.4150	2.8060	2.4150	1.3977	1.3709	2.1552	3.3997	3.8980	3.3997	2.1552	2.0444	2.0444
C2	1.3977		1.3820	2.4084	2.7635	2.3990	2.4081	1.0953	2.1399	3.3992	3.8572	3.3923	3.2903	2.5938
C3	2.4150	1.3820		1.3870	2.3872	2.7635	3.6694	2.1524	1.0937	2.1586	3.3829	3.8588	4.4484	3.9637
C4	2.8060	2.4084	1.3870		1.3870	2.4084	4.1763	3.4002	2.1531	1.0921	2.1531	3.4002	4.7323	4.7323
C5	2.4150	2.7635	2.3872	1.3870		1.3820	3.6694	3.8588	3.3829	2.1586	1.0937	2.1524	3.9637	4.4484
C6	1.3977	2.3990	2.7635	2.4084	1.3820		2.4081	3.3923	3.8572	3.3992	2.1399	1.0953	2.5938	3.2903
N7	1.3709	2.4081	3.6694	4.1763	3.6694	2.4081		2.6441	4.5455	5.2683	4.5455	2.6441	1.0159	1.0159
H8	2.1552	1.0953	2.1524	3.4002	3.8588	3.3923	2.6441		2.4659	4.3024	4.9525	4.2969	3.6227	2.4050
H9	3.3997	2.1399	1.0937	2.1531	3.3829	3.8572	4.5455	2.4659		2.4897	4.2929	4.9525	5.3963	4.6676
H10	3.8980	3.3992	2.1586	1.0921	2.1586	3.3992	5.2683	4.3024	2.4897		2.4897	4.3024	5.8086	5.8086
H11	3.3997	3.8572	3.3829	2.1531	1.0937	2.1399	4.5455	4.9525	4.2929	2.4897		2.4659	4.6676	5.3963
H12	2.1552	3.3923	3.8588	3.4002	2.1524	1.0953	2.6441	4.2969	4.9525	4.3024	2.4659		2.4050	3.6227
H13	2.0444	3.2903	4.4484	4.7323	3.9637	2.5938	1.0159	3.6227	5.3963	5.8086	4.6676	2.4050		1.7082
H14	2.0444	2.5938	3.9637	4.7323	4.4484	3.2903	1.0159	2.4050	4.6676	5.8086	5.3963	3.6227	1.7082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.640	C1	C2	H8	119.158
C1	C6	C5	120.640	C1	C6	H12	119.158
C1	N7	H13	117.081	C1	N7	H14	117.081
C2	C1	C6	118.230	C2	C1	N7	120.865
C2	C3	C4	120.865	C2	C3	H9	119.157
C3	C2	H8	120.201	C3	C4	C5	118.758
C3	C4	H10	120.621	C4	C3	H9	119.977
C4	C5	C6	120.865	C4	C5	H11	119.977
C5	C4	H10	120.621	C5	C6	H12	120.201
C6	C1	N7	120.865	C6	C5	H11	119.157
H13	N7	H14	114.432

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: SVWN/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
1	C	0.082
2	C	-0.094
3	C	-0.148
4	C	-0.127
5	C	-0.148
6	C	-0.094
7	N	-0.510
8	H	0.114
9	H	0.118
10	H	0.115
11	H	0.118
12	H	0.114
13	H	0.229
14	H	0.229

	x	y	z	Total
	-0.831	1.860	0.000	2.037
CHELPG
AIM
ESP

	x	y	z
x	4.861	-0.066	0.000
y	-0.066	14.598	0.000
z	0.000	0.000	12.029

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)