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	hartrees
Energy at 0K	-186.996495
Energy at 298.15K	-187.001542
HF Energy	-186.996495
Nuclear repulsion energy	104.123164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3396	3.95
2	A'	3224	2929	15.82
3	A'	2588	2351	4.71
4	A'	1809	1643	30.07
5	A'	1600	1454	5.56
6	A'	1493	1356	19.57
7	A'	1194	1084	16.59
8	A'	1003	911	195.17
9	A'	893	811	44.29
10	A'	628	570	10.18
11	A'	244	222	16.39
12	A"	3819	3469	8.44
13	A"	3265	2966	9.00
14	A"	1503	1365	0.00
15	A"	1297	1178	0.00
16	A"	970	882	0.09
17	A"	437	397	5.56
18	A"	300	272	61.45

Atom	x (Å)	y (Å)	z (Å)
N1	-1.440	0.723	0.000
C2	0.000	0.823	0.000
C3	0.717	-0.478	0.000
N4	1.239	-1.480	0.000
H5	-1.771	0.236	0.808
H6	-1.771	0.236	-0.808
H7	0.325	1.377	0.871
H8	0.325	1.377	-0.871

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4437	2.4690	3.4689	0.9995	0.9995	2.0742	2.0742
C2	1.4437		1.4852	2.6147	2.0327	2.0327	1.0825	1.0825
C3	2.4690	1.4852		1.1297	2.7111	2.7111	2.0868	2.0868
N4	3.4689	2.6147	1.1297		3.5577	3.5577	3.1236	3.1236
H5	0.9995	2.0327	2.7111	3.5577		1.6158	2.3870	2.9176
H6	0.9995	2.0327	2.7111	3.5577	1.6158		2.9176	2.3870
H7	2.0742	1.0825	2.0868	3.1236	2.3870	2.9176		1.7420
H8	2.0742	1.0825	2.0868	3.1236	2.9176	2.3870	1.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.903	N1	C2	H7	109.558
N1	C2	H8	109.558	C2	N1	H5	111.304
C2	N1	H6	111.304	C2	C3	N4	178.707
C3	C2	H7	107.690	C3	C2	H8	107.690
H5	N1	H6	107.849	H7	C2	H8	107.147

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/6-311G**

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	-0.479
2	C	0.050
3	C	0.068
4	N	-0.339
5	H	0.201
6	H	0.201
7	H	0.149
8	H	0.149

	x	y	z	Total
	-1.675	2.196	0.000	2.762
CHELPG
AIM
ESP

	x	y	z
x	4.540	-0.853	0.000
y	-0.853	5.005	0.000
z	0.000	0.000	3.593

<r²>	82.257
(<r²>)^1/2	9.070

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)