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	hartrees
Energy at 0K	-187.072269
Energy at 298.15K	-187.076980
HF Energy	-187.072269
Nuclear repulsion energy	103.286599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3461	3409	5.91
2	A'	2988	2943	7.62
3	A'	2299	2265	7.59
4	A'	1605	1581	38.31
5	A'	1387	1366	14.34
6	A'	1303	1283	6.27
7	A'	1127	1110	17.11
8	A'	916	902	38.18
9	A'	786	774	183.54
10	A'	556	547	18.06
11	A'	203	200	10.29
12	A"	3557	3504	18.27
13	A"	3032	2986	0.32
14	A"	1322	1302	0.00
15	A"	1138	1121	0.00
16	A"	854	841	0.11
17	A"	387	382	19.69
18	A"	262	258	51.84

Atom	x (Å)	y (Å)	z (Å)
N1	-1.437	0.717	0.000
C2	0.000	0.820	0.000
C3	0.720	-0.451	0.000
N4	1.236	-1.500	0.000
H5	-1.783	0.227	0.829
H6	-1.783	0.227	-0.829
H7	0.328	1.404	0.880
H8	0.328	1.404	-0.880

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4408	2.4534	3.4725	1.0234	1.0234	2.0885	2.0885
C2	1.4408		1.4614	2.6284	2.0536	2.0536	1.1059	1.1059
C3	2.4534	1.4614		1.1681	2.7224	2.7224	2.0909	2.0909
N4	3.4725	2.6284	1.1681		3.5748	3.5748	3.1672	3.1672
H5	1.0234	2.0536	2.7224	3.5748		1.6586	2.4171	2.9600
H6	1.0234	2.0536	2.7224	3.5748	1.6586		2.9600	2.4171
H7	2.0885	1.1059	2.0909	3.1672	2.4171	2.9600		1.7600
H8	2.0885	1.1059	2.0909	3.1672	2.9600	2.4171	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.418	N1	C2	H7	109.480
N1	C2	H8	109.480	C2	N1	H5	111.776
C2	N1	H6	111.776	C2	C3	N4	176.669
C3	C2	H7	108.268	C3	C2	H8	108.268
H5	N1	H6	108.260	H7	C2	H8	105.454

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: LSDA/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	-0.595
2	C	-0.376
3	C	0.343
4	N	-0.483
5	H	0.326
6	H	0.326
7	H	0.229
8	H	0.229

	x	y	z	Total
	-1.674	2.155	0.000	2.728
CHELPG
AIM
ESP

	x	y	z
x	5.837	-1.393	0.000
y	-1.393	6.589	0.000
z	0.000	0.000	4.219

<r²>	82.888
(<r²>)^1/2	9.104

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)