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	hartrees
Energy at 0K	-187.810449
Energy at 298.15K	-187.815350
HF Energy	-187.016320
Nuclear repulsion energy	103.893266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3355	4.41
2	A'	3138	2926	8.58
3	A'	2443	2278	0.74
4	A'	1702	1588	23.82
5	A'	1509	1407	5.92
6	A'	1401	1307	11.60
7	A'	1151	1073	12.41
8	A'	970	904	115.97
9	A'	867	809	69.75
10	A'	587	548	8.41
11	A'	225	210	13.29
12	A"	3673	3426	8.69
13	A"	3164	2950	2.33
14	A"	1421	1325	0.02
15	A"	1227	1144	0.04
16	A"	909	848	0.05
17	A"	404	377	7.50
18	A"	281	262	51.73

Atom	x (Å)	y (Å)	z (Å)
N1	-1.445	0.720	0.000
C2	0.000	0.822	0.000
C3	0.716	-0.464	0.000
N4	1.242	-1.481	0.000
H5	-1.757	0.208	0.809
H6	-1.757	0.208	-0.809
H7	0.321	1.383	0.870
H8	0.321	1.383	-0.870

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4488	2.4636	3.4737	1.0066	1.0066	2.0771	2.0771
C2	1.4488		1.4716	2.6171	2.0296	2.0296	1.0834	1.0834
C3	2.4636	1.4716		1.1458	2.6870	2.6870	2.0792	2.0792
N4	3.4737	2.6171	1.1458		3.5361	3.5361	3.1322	3.1322
H5	1.0066	2.0296	2.6870	3.5361		1.6172	2.3880	2.9182
H6	1.0066	2.0296	2.6870	3.5361	1.6172		2.9182	2.3880
H7	2.0771	1.0834	2.0792	3.1322	2.3880	2.9182		1.7394
H8	2.0771	1.0834	2.0792	3.1322	2.9182	2.3880	1.7394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.039	N1	C2	H7	109.380
N1	C2	H8	109.380	C2	N1	H5	110.198
C2	N1	H6	110.198	C2	C3	N4	178.269
C3	C2	H7	107.968	C3	C2	H8	107.968
H5	N1	H6	106.892	H7	C2	H8	106.781

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/cc-pVTZ

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 NH2CH2CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)