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	hartrees
Energy at 0K	-286.796542
Energy at 298.15K	-286.804381
HF Energy	-285.757045
Nuclear repulsion energy	271.349541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3664	3413	13.38
2	A'	3302	3077	13.12
3	A'	3279	3055	3.62
4	A'	3263	3039	15.31
5	A'	1727	1609	146.62
6	A'	1707	1590	9.74
7	A'	1582	1474	57.00
8	A'	1329	1238	58.78
9	A'	1232	1148	6.01
10	A'	1075	1001	3.96
11	A'	1027	957	0.20
12	A'	913	850	2.35
13	A'	851	792	6.45
14	A'	844	787	1.49
15	A'	746	695	246.92
16	A'	702	654	157.31
17	A'	542	505	2.47
18	A'	507	472	41.11
19	A'	445	414	5.60
20	A'	214	199	5.41
21	A"	3767	3509	13.42
22	A"	3286	3061	32.74
23	A"	3263	3040	3.89
24	A"	1694	1578	2.40
25	A"	1546	1440	1.87
26	A"	1402	1306	0.01
27	A"	1349	1257	8.39
28	A"	1205	1122	1.77
29	A"	1167	1087	5.82
30	A"	1101	1026	3.54
31	A"	924	861	0.01
32	A"	825	769	0.08
33	A"	642	598	0.25
34	A"	399	372	0.33
35	A"	385	358	0.17
36	A"	253	236	25.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.003	0.935	0.000
C2	0.004	0.222	1.207
C3	0.004	-1.172	1.203
C4	0.003	-1.882	0.000
C5	0.004	-1.172	-1.203
C6	0.004	0.222	-1.207
N7	0.066	2.339	0.000
H8	0.015	0.761	2.145
H9	0.006	-1.703	2.145
H10	0.003	-2.961	0.000
H11	0.006	-1.703	-2.145
H12	0.015	0.761	-2.145
H13	-0.305	2.773	-0.830
H14	-0.305	2.773	0.830

	C1	C2	C3	C4	C5	C6	N7	H8	H9	H10	H11	H12	H13	H14
C1		1.4022	2.4269	2.8171	2.4269	1.4022	1.4054	2.1523	3.4002	3.8965	3.4002	2.1523	2.0387	2.0387
C2	1.4022		1.3947	2.4259	2.7851	2.4148	2.4376	1.0817	2.1415	3.4048	3.8658	3.3957	3.2788	2.5968
C3	2.4269	1.3947		1.3969	2.4067	2.7851	3.7123	2.1509	1.0807	2.1560	3.3899	3.8668	4.4490	3.9749
C4	2.8171	2.4259	1.3969		1.3969	2.4259	4.2213	3.4042	2.1522	1.0794	2.1522	3.4042	4.7380	4.7380
C5	2.4269	2.7851	2.4067	1.3969		1.3947	3.7123	3.8668	3.3899	2.1560	1.0807	2.1509	3.9749	4.4490
C6	1.4022	2.4148	2.7851	2.4259	1.3947		2.4376	3.3957	3.8658	3.4048	2.1415	1.0817	2.5968	3.2788
N7	1.4054	2.4376	3.7123	4.2213	3.7123	2.4376		2.6633	4.5763	5.3006	4.5763	2.6633	1.0071	1.0071
H8	2.1523	1.0817	2.1509	3.4042	3.8668	3.3957	2.6633		2.4645	4.2965	4.9475	4.2904	3.6054	2.4246
H9	3.4002	2.1415	1.0807	2.1522	3.3899	3.8658	4.5763	2.4645		2.4865	4.2894	4.9475	5.3832	4.6755
H10	3.8965	3.4048	2.1560	1.0794	2.1560	3.4048	5.3006	4.2965	2.4865		2.4865	4.2965	5.8019	5.8019
H11	3.4002	3.8658	3.3899	2.1522	1.0807	2.1415	4.5763	4.9475	4.2894	2.4865		2.4645	4.6755	5.3832
H12	2.1523	3.3957	3.8668	3.4042	2.1509	1.0817	2.6633	4.2904	4.9475	4.2965	2.4645		2.4246	3.6054
H13	2.0387	3.2788	4.4490	4.7380	3.9749	2.5968	1.0071	3.6054	5.3832	5.8019	4.6755	2.4246		1.6594
H14	2.0387	2.5968	3.9749	4.7380	4.4490	3.2788	1.0071	2.4246	4.6755	5.8019	5.3832	3.6054	1.6594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.392	C1	C2	H8	119.549
C1	C6	C5	120.392	C1	C6	H12	119.549
C1	N7	H13	114.350	C1	N7	H14	114.350
C2	C1	C6	118.876	C2	C1	N7	120.504
C2	C3	C4	120.692	C2	C3	H9	119.248
C3	C2	H8	120.058	C3	C4	C5	118.953
C3	C4	H10	120.524	C4	C3	H9	120.060
C4	C5	C6	120.692	C4	C5	H11	120.060
C5	C4	H10	120.524	C5	C6	H12	120.058
C6	C1	N7	120.504	C6	C5	H11	119.248
H13	N7	H14	110.953

All results from a given calculation for C₆H₅NH₂ (aniline)

using model chemistry: MP3=FULL/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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All results from a given calculation for C6H5NH2 (aniline)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₅NH₂ (aniline)