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	hartrees
Energy at 0K	-285.747599
Energy at 298.15K	-285.756036
Nuclear repulsion energy	273.145913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3805	3435	17.87
2	A'	3371	3042	20.16
3	A'	3346	3020	8.92
4	A'	3329	3004	17.40
5	A'	1821	1644	166.08
6	A'	1798	1623	8.30
7	A'	1668	1505	69.74
8	A'	1393	1257	58.17
9	A'	1293	1167	9.18
10	A'	1128	1018	2.09
11	A'	1109	1001	0.72
12	A'	1083	977	1.19
13	A'	990	894	17.31
14	A'	890	803	9.63
15	A'	846	763	105.31
16	A'	772	697	10.13
17	A'	684	618	289.25
18	A'	574	518	1.95
19	A'	554	500	63.30
20	A'	246	222	6.05
21	A"	3912	3531	15.13
22	A"	3353	3026	54.51
23	A"	3331	3007	2.39
24	A"	1789	1614	11.24
25	A"	1634	1475	4.03
26	A"	1488	1343	0.03
27	A"	1356	1224	6.19
28	A"	1249	1127	2.16
29	A"	1191	1075	18.43
30	A"	1147	1035	0.27
31	A"	1088	982	0.01
32	A"	926	836	0.05
33	A"	681	615	0.26
34	A"	457	413	0.31
35	A"	412	372	0.48
36	A"	257	232	25.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.930	0.000
C2	0.006	0.220	1.198
C3	0.006	-1.163	1.192
C4	0.005	-1.869	0.000
C5	0.006	-1.163	-1.192
C6	0.006	0.220	-1.198
N7	0.052	2.324	0.000
H8	0.013	0.755	2.133
H9	0.006	-1.692	2.130
H10	0.004	-2.944	0.000
H11	0.006	-1.692	-2.130
H12	0.013	0.755	-2.133
H13	-0.313	2.751	-0.822
H14	-0.313	2.751	0.822

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3927	2.4086	2.7986	2.4086	1.3927	1.3952	2.1402	3.3777	3.8736	3.3777	2.1402	2.0232	2.0232
C2	1.3927		1.3831	2.4080	2.7616	2.3964	2.4219	1.0769	2.1268	3.3831	3.8379	3.3739	3.2540	2.5785
C3	2.4086	1.3831		1.3852	2.3841	2.7616	3.6857	2.1361	1.0764	2.1428	3.3634	3.8384	4.4134	3.9444
C4	2.7986	2.4080	1.3852		1.3852	2.4080	4.1932	3.3811	2.1368	1.0750	2.1368	3.3811	4.7030	4.7030
C5	2.4086	2.7616	2.3841	1.3852		1.3831	3.6857	3.8384	3.3634	2.1428	1.0764	2.1361	3.9444	4.4134
C6	1.3927	2.3964	2.7616	2.4080	1.3831		2.4219	3.3739	3.8379	3.3831	2.1268	1.0769	2.5785	3.2540
N7	1.3952	2.4219	3.6857	4.1932	3.6857	2.4219		2.6486	4.5461	5.2682	4.5461	2.6486	0.9955	0.9955
H8	2.1402	1.0769	2.1361	3.3811	3.8384	3.3739	2.6486		2.4466	4.2694	4.9148	4.2660	3.5811	2.4104
H9	3.3777	2.1268	1.0764	2.1368	3.3634	3.8379	4.5461	2.4466		2.4702	4.2591	4.9148	5.3435	4.6423
H10	3.8736	3.3831	2.1428	1.0750	2.1428	3.3831	5.2682	4.2694	2.4702		2.4702	4.2694	5.7625	5.7625
H11	3.3777	3.8379	3.3634	2.1368	1.0764	2.1268	4.5461	4.9148	4.2591	2.4702		2.4466	4.6423	5.3435
H12	2.1402	3.3739	3.8384	3.3811	2.1361	1.0769	2.6486	4.2660	4.9148	4.2694	2.4466		2.4104	3.5811
H13	2.0232	3.2540	4.4134	4.7030	3.9444	2.5785	0.9955	3.5811	5.3435	5.7625	4.6423	2.4104		1.6441
H14	2.0232	2.5785	3.9444	4.7030	4.4134	3.2540	0.9955	2.4104	4.6423	5.7625	5.3435	3.5811	1.6441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.386	C1	C2	H8	119.594
C1	C6	C5	120.386	C1	C6	H12	119.594
C1	N7	H13	114.581	C1	N7	H14	114.581
C2	C1	C6	118.716	C2	C1	N7	120.620
C2	C3	C4	120.880	C2	C3	H9	119.174
C3	C2	H8	120.019	C3	C4	C5	118.751
C3	C4	H10	120.624	C4	C3	H9	119.945
C4	C5	C6	120.880	C4	C5	H11	119.945
C5	C4	H10	120.624	C5	C6	H12	120.019
C6	C1	N7	120.620	C6	C5	H11	119.174
H13	N7	H14	111.330

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	0.270
2	C	-0.188
3	C	-0.127
4	C	-0.182
5	C	-0.127
6	C	-0.188
7	N	-0.740
8	H	0.139
9	H	0.146
10	H	0.142
11	H	0.146
12	H	0.139
13	H	0.285
14	H	0.285

	x	y	z	Total
	-1.217	0.903	0.000	1.516
CHELPG
AIM
ESP

	x	y	z
x	3.664	-0.145	0.000
y	-0.145	12.407	0.000
z	0.000	0.000	10.828

<r²>	189.917
(<r²>)^1/2	13.781

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)