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	hartrees
Energy at 0K	-285.843428
Energy at 298.15K	-285.851888
HF Energy	-285.843428
Nuclear repulsion energy	273.768662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3434	23.00
2	A'	3349	3035	15.45
3	A'	3325	3013	7.61
4	A'	3307	2997	16.25
5	A'	1805	1636	136.83
6	A'	1779	1613	37.51
7	A'	1655	1500	68.89
8	A'	1379	1250	68.13
9	A'	1287	1166	11.57
10	A'	1118	1014	2.33
11	A'	1098	995	0.28
12	A'	1078	977	2.14
13	A'	992	899	15.22
14	A'	885	802	8.94
15	A'	845	766	94.29
16	A'	770	698	23.98
17	A'	677	613	243.99
18	A'	572	519	2.78
19	A'	553	502	72.81
20	A'	244	221	6.38
21	A"	3885	3522	18.23
22	A"	3331	3019	43.64
23	A"	3309	3000	2.23
24	A"	1768	1602	11.95
25	A"	1622	1470	3.28
26	A"	1486	1347	0.07
27	A"	1344	1218	4.31
28	A"	1241	1125	1.81
29	A"	1175	1065	18.39
30	A"	1133	1027	0.85
31	A"	1090	988	0.02
32	A"	923	837	0.01
33	A"	679	616	0.32
34	A"	457	415	0.18
35	A"	411	372	0.43
36	A"	276	251	21.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.925	0.000
C2	0.006	0.219	1.193
C3	0.006	-1.159	1.187
C4	0.007	-1.861	0.000
C5	0.006	-1.159	-1.187
C6	0.006	0.219	-1.193
N7	0.057	2.318	0.000
H8	0.010	0.752	2.124
H9	0.005	-1.686	2.120
H10	0.007	-2.933	0.000
H11	0.005	-1.686	-2.120
H12	0.010	0.752	-2.124
H13	-0.326	2.736	-0.815
H14	-0.326	2.736	0.815

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.3860	2.3977	2.7861	2.3977	1.3860	1.3942	2.1312	3.3633	3.8574	3.3633	2.1312	2.0134	2.0134
C2	1.3860		1.3773	2.3976	2.7491	2.3853	2.4152	1.0733	2.1185	3.3694	3.8214	3.3593	3.2367	2.5666
C3	2.3977	1.3773		1.3791	2.3733	2.7491	3.6740	2.1280	1.0723	2.1343	3.3488	3.8224	4.3911	3.9259
C4	2.7861	2.3976	1.3791		1.3791	2.3976	4.1797	3.3675	2.1276	1.0713	2.1276	3.3675	4.6804	4.6804
C5	2.3977	2.7491	2.3733	1.3791		1.3773	3.6740	3.8224	3.3488	2.1343	1.0723	2.1280	3.9259	4.3911
C6	1.3860	2.3853	2.7491	2.3976	1.3773		2.4152	3.3593	3.8214	3.3694	2.1185	1.0733	2.5666	3.2367
N7	1.3942	2.4152	3.6740	4.1797	3.6740	2.4152		2.6397	4.5311	5.2510	4.5311	2.6397	0.9928	0.9928
H8	2.1312	1.0733	2.1280	3.3675	3.8224	3.3593	2.6397		2.4377	4.2528	4.8947	4.2483	3.5621	2.4003
H9	3.3633	2.1185	1.0723	2.1276	3.3488	3.8214	4.5311	2.4377		2.4597	4.2407	4.8947	5.3176	4.6220
H10	3.8574	3.3694	2.1343	1.0713	2.1343	3.3694	5.2510	4.2528	2.4597		2.4597	4.2528	5.7362	5.7362
H11	3.3633	3.8214	3.3488	2.1276	1.0723	2.1185	4.5311	4.8947	4.2407	2.4597		2.4377	4.6220	5.3176
H12	2.1312	3.3593	3.8224	3.3675	2.1280	1.0733	2.6397	4.2483	4.8947	4.2528	2.4377		2.4003	3.5621
H13	2.0134	3.2367	4.3911	4.6804	3.9259	2.5666	0.9928	3.5621	5.3176	5.7362	4.6220	2.4003		1.6305
H14	2.0134	2.5666	3.9259	4.6804	4.3911	3.2367	0.9928	2.4003	4.6220	5.7362	5.3176	3.5621	1.6305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.382	C1	C2	H8	119.585
C1	C6	C5	120.382	C1	C6	H12	119.585
C1	N7	H13	113.958	C1	N7	H14	113.958
C2	C1	C6	118.737	C2	C1	N7	120.609
C2	C3	C4	120.882	C2	C3	H9	119.205
C3	C2	H8	120.033	C3	C4	C5	118.736
C3	C4	H10	120.632	C4	C3	H9	119.913
C4	C5	C6	120.882	C4	C5	H11	119.913
C5	C4	H10	120.632	C5	C6	H12	120.033
C6	C1	N7	120.609	C6	C5	H11	119.205
H13	N7	H14	110.405

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: HF/Def2TZVPP

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	0.288
2	C	-0.217
3	C	-0.020
4	C	-0.166
5	C	-0.020
6	C	-0.217
7	N	-0.354
8	H	0.063
9	H	0.089
10	H	0.087
11	H	0.089
12	H	0.063
13	H	0.159
14	H	0.159

	x	y	z	Total
	-1.033	1.022	0.000	1.453
CHELPG
AIM
ESP

	x	y	z
x	6.532	-0.079	0.000
y	-0.079	13.579	0.000
z	0.000	0.000	11.804

<r²>	189.612
(<r²>)^1/2	13.770

All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)