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	hartrees
Energy at 0K	-188.034000
Energy at 298.15K	-188.038828
HF Energy	-187.778055
Nuclear repulsion energy	103.392034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3372	3.35
2	A'	3088	2951	10.18
3	A'	2283	2182	0.20
4	A'	1680	1606	22.53
5	A'	1488	1422	6.16
6	A'	1377	1316	9.40
7	A'	1116	1067	14.42
8	A'	937	895	114.18
9	A'	846	809	71.09
10	A'	572	546	8.71
11	A'	217	207	11.54
12	A"	3610	3451	7.06
13	A"	3123	2985	2.88
14	A"	1399	1337	0.01
15	A"	1208	1154	0.03
16	A"	901	861	0.01
17	A"	392	374	9.66
18	A"	269	257	47.72

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.719	0.000
C2	0.000	0.826	0.000
C3	0.721	-0.459	0.000
N4	1.247	-1.490	0.000
H5	-1.766	0.205	0.812
H6	-1.766	0.205	-0.812
H7	0.316	1.393	0.873
H8	0.316	1.393	-0.873

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4552	2.4710	3.4869	1.0108	1.0108	2.0834	2.0834
C2	1.4552		1.4730	2.6298	2.0403	2.0403	1.0877	1.0877
C3	2.4710	1.4730		1.1574	2.6993	2.6993	2.0863	2.0863
N4	3.4869	2.6298	1.1574		3.5513	3.5513	3.1520	3.1520
H5	1.0108	2.0403	2.6993	3.5513		1.6239	2.3979	2.9299
H6	1.0108	2.0403	2.6993	3.5513	1.6239		2.9299	2.3979
H7	2.0834	1.0877	2.0863	3.1520	2.3979	2.9299		1.7454
H8	2.0834	1.0877	2.0863	3.1520	2.9299	2.3979	1.7454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.096	N1	C2	H7	109.177
N1	C2	H8	109.177	C2	N1	H5	110.354
C2	N1	H6	110.354	C2	C3	N4	177.727
C3	C2	H7	108.182	C3	C2	H8	108.182
H5	N1	H6	106.884	H7	C2	H8	106.701

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)