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	hartrees
Energy at 0K	-186.266552
Energy at 298.15K	-186.271515
HF Energy	-185.898190
Nuclear repulsion energy	102.400007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3290	0.43
2	A'	3145	2938	9.27
3	A'	2398	2240	0.67
4	A'	1787	1669	22.06
5	A'	1581	1477	9.05
6	A'	1435	1341	0.76
7	A'	1114	1041	25.40
8	A'	903	843	74.25
9	A'	779	728	193.77
10	A'	613	573	18.02
11	A'	240	224	11.91
12	A"	3619	3381	1.95
13	A"	3184	2975	4.48
14	A"	1446	1352	0.21
15	A"	1280	1196	0.06
16	A"	930	869	0.01
17	A"	453	423	11.99
18	A"	310	290	66.06

Atom	x (Å)	y (Å)	z (Å)
N1	-1.474	0.700	0.000
C2	0.000	0.832	0.000
C3	0.739	-0.459	0.000
N4	1.276	-1.488	0.000
H5	-1.817	0.233	0.835
H6	-1.817	0.233	-0.835
H7	0.296	1.405	0.881
H8	0.296	1.405	-0.881

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4804	2.4981	3.5139	1.0164	1.0164	2.0994	2.0994
C2	1.4804		1.4872	2.6474	2.0875	2.0875	1.0915	1.0915
C3	2.4981	1.4872		1.1607	2.7761	2.7761	2.1083	2.1083
N4	3.5139	2.6474	1.1607		3.6360	3.6360	3.1786	3.1786
H5	1.0164	2.0875	2.7761	3.6360		1.6709	2.4165	2.9635
H6	1.0164	2.0875	2.7761	3.6360	1.6709		2.9635	2.4165
H7	2.0994	1.0915	2.1083	3.1786	2.4165	2.9635		1.7611
H8	2.0994	1.0915	2.1083	3.1786	2.9635	2.4165	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.656	N1	C2	H7	108.485
N1	C2	H8	108.485	C2	N1	H5	112.114
C2	N1	H6	112.114	C2	C3	N4	177.757
C3	C2	H7	108.717	C3	C2	H8	108.717
H5	N1	H6	110.569	H7	C2	H8	107.561

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)