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	hartrees
Energy at 0K	-287.309251
Energy at 298.15K	-287.317267
HF Energy	-287.309251
Nuclear repulsion energy	271.570358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3617	3453	21.44
2	A'	3236	3090	11.98
3	A'	3212	3067	2.43
4	A'	3194	3050	18.61
5	A'	1689	1613	187.86
6	A'	1663	1588	18.82
7	A'	1547	1477	69.82
8	A'	1325	1265	59.48
9	A'	1204	1149	9.74
10	A'	1061	1013	4.74
11	A'	1010	965	0.95
12	A'	989	945	0.10
13	A'	888	848	8.29
14	A'	840	802	4.27
15	A'	764	730	79.68
16	A'	701	669	27.37
17	A'	565	539	206.56
18	A'	536	512	8.21
19	A'	503	480	123.28
20	A'	221	211	6.44
21	A"	3730	3561	20.33
22	A"	3218	3073	31.54
23	A"	3195	3051	4.81
24	A"	1658	1583	5.74
25	A"	1512	1444	0.98
26	A"	1394	1331	8.46
27	A"	1362	1300	0.01
28	A"	1181	1128	1.46
29	A"	1139	1088	5.53
30	A"	1073	1025	3.22
31	A"	970	926	0.00
32	A"	831	793	0.04
33	A"	632	604	0.36
34	A"	417	398	0.24
35	A"	384	366	0.27
36	A"	292	279	18.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.937	0.000
C2	0.005	0.222	1.206
C3	0.005	-1.170	1.201
C4	0.003	-1.879	0.000
C5	0.005	-1.170	-1.201
C6	0.005	0.222	-1.206
N7	0.060	2.333	0.000
H8	0.013	0.763	2.151
H9	0.005	-1.704	2.148
H10	0.002	-2.965	0.000
H11	0.005	-1.704	-2.148
H12	0.013	0.763	-2.151
H13	-0.298	2.774	-0.835
H14	-0.298	2.774	0.835

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.4024	2.4255	2.8165	2.4255	1.4024	1.3969	2.1576	3.4044	3.9022	3.4044	2.1576	2.0404	2.0404
C2	1.4024		1.3921	2.4232	2.7813	2.4130	2.4317	1.0879	2.1439	3.4080	3.8684	3.4003	3.2825	2.5968
C3	2.4255	1.3921		1.3952	2.4028	2.7813	3.7034	2.1533	1.0871	2.1601	3.3921	3.8692	4.4495	3.9729
C4	2.8165	2.4232	1.3952		1.3952	2.4232	4.2125	3.4068	2.1556	1.0858	2.1556	3.4068	4.7378	4.7378
C5	2.4255	2.7813	2.4028	1.3952		1.3921	3.7034	3.8692	3.3921	2.1601	1.0871	2.1533	3.9729	4.4495
C6	1.4024	2.4130	2.7813	2.4232	1.3921		2.4317	3.4003	3.8684	3.4080	2.1439	1.0879	2.5968	3.2825
N7	1.3969	2.4317	3.7034	4.2125	3.7034	2.4317		2.6630	4.5729	5.2982	4.5729	2.6630	1.0104	1.0104
H8	2.1576	1.0879	2.1533	3.4068	3.8692	3.4003	2.6630		2.4665	4.3038	4.9563	4.3011	3.6138	2.4235
H9	3.4044	2.1439	1.0871	2.1556	3.3921	3.8684	4.5729	2.4665		2.4914	4.2969	4.9563	5.3897	4.6765
H10	3.9022	3.4080	2.1601	1.0858	2.1601	3.4080	5.2982	4.3038	2.4914		2.4914	4.3038	5.8078	5.8078
H11	3.4044	3.8684	3.3921	2.1556	1.0871	2.1439	4.5729	4.9563	4.2969	2.4914		2.4665	4.6765	5.3897
H12	2.1576	3.4003	3.8692	3.4068	2.1533	1.0879	2.6630	4.3011	4.9563	4.3038	2.4665		2.4235	3.6138
H13	2.0404	3.2825	4.4495	4.7378	3.9729	2.5968	1.0104	3.6138	5.3897	5.8078	4.6765	2.4235		1.6707
H14	2.0404	2.5968	3.9729	4.7378	4.4495	3.2825	1.0104	2.4235	4.6765	5.8078	5.3897	3.6138	1.6707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.440	C1	C2	H8	119.549
C1	C6	C5	120.440	C1	C6	H12	119.549
C1	N7	H13	114.962	C1	N7	H14	114.962
C2	C1	C6	118.699	C2	C1	N7	120.614
C2	C3	C4	120.773	C2	C3	H9	119.196
C3	C2	H8	120.010	C3	C4	C5	118.875
C3	C4	H10	120.563	C4	C3	H9	120.031
C4	C5	C6	120.773	C4	C5	H11	120.031
C5	C4	H10	120.563	C5	C6	H12	120.010
C6	C1	N7	120.614	C6	C5	H11	119.196
H13	N7	H14	111.531

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.352
2	C	0.173
3	C	-0.297
4	C	-0.142
5	C	-0.297
6	C	0.173
7	N	-0.575
8	H	0.135
9	H	0.152
10	H	0.149
11	H	0.152
12	H	0.135
13	H	0.297
14	H	0.297

	x	y	z	Total
	-0.989	1.345	0.000	1.670
CHELPG
AIM
ESP

<r²>	191.988
(<r²>)^1/2	13.856

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)