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	hartrees
Energy at 0K	-187.577843
Energy at 298.15K	-187.582685
HF Energy	-186.951376
Nuclear repulsion energy	102.770501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3366	0.63
2	A'	3141	2957	13.07
3	A'	2336	2199	0.30
4	A'	1719	1618	24.19
5	A'	1531	1442	3.94
6	A'	1408	1325	14.42
7	A'	1151	1083	13.79
8	A'	971	914	161.36
9	A'	868	817	46.39
10	A'	565	532	10.51
11	A'	210	198	13.05
12	A"	3668	3453	2.20
13	A"	3192	3005	6.70
14	A"	1426	1342	0.06
15	A"	1226	1154	0.00
16	A"	915	861	0.30
17	A"	398	374	18.54
18	A"	280	264	51.07

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.733	0.000
C2	0.000	0.835	0.000
C3	0.721	-0.466	0.000
N4	1.250	-1.508	0.000
H5	-1.762	0.209	0.813
H6	-1.762	0.209	-0.813
H7	0.317	1.399	0.877
H8	0.317	1.399	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4589	2.4848	3.5128	1.0139	1.0139	2.0870	2.0870
C2	1.4589		1.4879	2.6559	2.0384	2.0384	1.0901	1.0901
C3	2.4848	1.4879		1.1684	2.6984	2.6984	2.1009	2.1009
N4	3.5128	2.6559	1.1684		3.5610	3.5610	3.1770	3.1770
H5	1.0139	2.0384	2.6984	3.5610		1.6251	2.3962	2.9313
H6	1.0139	2.0384	2.6984	3.5610	1.6251		2.9313	2.3962
H7	2.0870	1.0901	2.1009	3.1770	2.3962	2.9313		1.7542
H8	2.0870	1.0901	2.1009	3.1770	2.9313	2.3962	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.964	N1	C2	H7	109.062
N1	C2	H8	109.062	C2	N1	H5	109.737
C2	N1	H6	109.737	C2	C3	N4	177.923
C3	C2	H7	108.165	C3	C2	H8	108.165
H5	N1	H6	106.530	H7	C2	H8	107.144

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)