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	hartrees
Energy at 0K	-186.961486
Energy at 298.15K	-186.966491
HF Energy	-186.961486
Nuclear repulsion energy	103.870846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3405	6.25
2	A'	3241	2930	13.29
3	A'	2591	2343	6.13
4	A'	1813	1640	37.81
5	A'	1602	1448	5.10
6	A'	1494	1351	21.29
7	A'	1195	1080	20.85
8	A'	982	888	181.01
9	A'	876	792	81.51
10	A'	623	563	15.15
11	A'	244	220	16.96
12	A"	3861	3491	16.45
13	A"	3288	2973	6.53
14	A"	1498	1355	0.06
15	A"	1295	1171	0.12
16	A"	967	874	0.12
17	A"	429	388	5.82
18	A"	291	263	66.79

Atom	x (Å)	y (Å)	z (Å)
N1	-1.439	0.730	0.000
C2	0.000	0.822	0.000
C3	0.715	-0.483	0.000
N4	1.243	-1.489	0.000
H5	-1.788	0.265	0.812
H6	-1.788	0.265	-0.812
H7	0.327	1.375	0.871
H8	0.327	1.375	-0.871

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4416	2.4721	3.4812	0.9992	0.9992	2.0717	2.0717
C2	1.4416		1.4889	2.6249	2.0417	2.0417	1.0823	1.0823
C3	2.4721	1.4889		1.1362	2.7361	2.7361	2.0888	2.0888
N4	3.4812	2.6249	1.1362		3.5954	3.5954	3.1309	3.1309
H5	0.9992	2.0417	2.7361	3.5954		1.6243	2.3894	2.9224
H6	0.9992	2.0417	2.7361	3.5954	1.6243		2.9224	2.3894
H7	2.0717	1.0823	2.0888	3.1309	2.3894	2.9224		1.7430
H8	2.0717	1.0823	2.0888	3.1309	2.9224	2.3894	1.7430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.037	N1	C2	H7	109.516
N1	C2	H8	109.516	C2	N1	H5	112.271
C2	N1	H6	112.271	C2	C3	N4	178.994
C3	C2	H7	107.608	C3	C2	H8	107.608
H5	N1	H6	108.742	H7	C2	H8	107.264

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/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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Number	Element	Mulliken
1	N	-0.642
2	C	-0.064
3	C	0.183
4	N	-0.452
5	H	0.307
6	H	0.307
7	H	0.181
8	H	0.181

	x	y	z	Total
	-1.688	2.255	0.000	2.817
CHELPG
AIM
ESP

	x	y	z
x	4.885	-1.049	0.000
y	-1.049	5.548	0.000
z	0.000	0.000	3.797

<r²>	83.031
(<r²>)^1/2	9.112

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)