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	hartrees
Energy at 0K	-187.629758
Energy at 298.15K	-187.634515
HF Energy	-186.957010
Nuclear repulsion energy	102.512388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3558	3558
2	A'	3124	3124
3	A'	2274	2274
4	A'	1707	1707
5	A'	1513	1513
6	A'	1392	1392
7	A'	1128	1128
8	A'	945	945
9	A'	849	849
10	A'	547	547
11	A'	202	202
12	A"	3655	3655
13	A"	3178	3178
14	A"	1407	1407
15	A"	1209	1209
16	A"	900	900
17	A"	378	378
18	A"	261	261

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.735	0.000
C2	0.000	0.835	0.000
C3	0.723	-0.467	0.000
N4	1.256	-1.514	0.000
H5	-1.780	0.228	0.817
H6	-1.780	0.228	-0.817
H7	0.318	1.397	0.878
H8	0.318	1.397	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4607	2.4894	3.5233	1.0145	1.0145	2.0882	2.0882
C2	1.4607		1.4890	2.6627	2.0508	2.0508	1.0905	1.0905
C3	2.4894	1.4890		1.1742	2.7234	2.7234	2.1005	2.1005
N4	3.5233	2.6627	1.1742		3.5939	3.5939	3.1819	3.1819
H5	1.0145	2.0508	2.7234	3.5939		1.6345	2.4027	2.9402
H6	1.0145	2.0508	2.7234	3.5939	1.6345		2.9402	2.4027
H7	2.0882	1.0905	2.1005	3.1819	2.4027	2.9402		1.7569
H8	2.0882	1.0905	2.1005	3.1819	2.9402	2.4027	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.122	N1	C2	H7	109.015
N1	C2	H8	109.015	C2	N1	H5	110.602
C2	N1	H6	110.602	C2	C3	N4	177.926
C3	C2	H7	108.045	C3	C2	H8	108.045
H5	N1	H6	107.327	H7	C2	H8	107.327

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD(T)=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 NH2CH2CN (Aminoacetonitrile)

using model chemistry: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)