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	hartrees
Energy at 0K	-187.644269
Energy at 298.15K	-187.649010
HF Energy	-186.970386
Nuclear repulsion energy	101.869765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3467	3390
2	A'	3063	2995
3	A'	2232	2183
4	A'	1652	1615
5	A'	1455	1423
6	A'	1342	1312
7	A'	1109	1085
8	A'	936	915
9	A'	836	818
10	A'	546	534
11	A'	204	199
12	A"	3555	3476
13	A"	3112	3043
14	A"	1376	1345
15	A"	1183	1157
16	A"	882	863
17	A"	370	362
18	A"	257	251

Atom	x (Å)	y (Å)	z (Å)
N1	-1.468	0.738	0.000
C2	0.000	0.843	0.000
C3	0.728	-0.468	0.000
N4	1.259	-1.521	0.000
H5	-1.775	0.205	0.818
H6	-1.775	0.205	-0.818
H7	0.320	1.412	0.889
H8	0.320	1.412	-0.889

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4713	2.5050	3.5409	1.0233	1.0233	2.1077	2.1077
C2	1.4713		1.4991	2.6784	2.0558	2.0558	1.1035	1.1035
C3	2.5050	1.4991		1.1799	2.7180	2.7180	2.1190	2.1190
N4	3.5409	2.6784	1.1799		3.5851	3.5851	3.2057	3.2057
H5	1.0233	2.0558	2.7180	3.5851		1.6353	2.4193	2.9601
H6	1.0233	2.0558	2.7180	3.5851	1.6353		2.9601	2.4193
H7	2.1077	1.1035	2.1190	3.2057	2.4193	2.9601		1.7788
H8	2.1077	1.1035	2.1190	3.2057	2.9601	2.4193	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.979	N1	C2	H7	109.052
N1	C2	H8	109.052	C2	N1	H5	109.684
C2	N1	H6	109.684	C2	C3	N4	177.656
C3	C2	H7	108.045	C3	C2	H8	108.045
H5	N1	H6	106.075	H7	C2	H8	107.408

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)