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	hartrees
Energy at 0K	-188.060351
Energy at 298.15K	-188.065025
HF Energy	-188.060351
Nuclear repulsion energy	101.983342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3372	2.46
2	A'	2982	2976	11.32
3	A'	2224	2219	3.18
4	A'	1607	1604	19.70
5	A'	1404	1402	6.27
6	A'	1296	1293	8.88
7	A'	1052	1050	14.21
8	A'	882	880	79.67
9	A'	805	803	76.00
10	A'	542	540	10.30
11	A'	204	204	9.53
12	A"	3458	3451	4.19
13	A"	3020	3014	3.22
14	A"	1331	1328	0.03
15	A"	1148	1146	0.02
16	A"	863	861	0.02
17	A"	368	367	10.23
18	A"	246	246	43.97

Atom	x (Å)	y (Å)	z (Å)
N1	-1.473	0.722	0.000
C2	0.000	0.836	0.000
C3	0.737	-0.457	0.000
N4	1.264	-1.507	0.000
H5	-1.790	0.196	0.822
H6	-1.790	0.196	-0.822
H7	0.312	1.415	0.888
H8	0.312	1.415	-0.888

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4776	2.5053	3.5299	1.0262	1.0262	2.1111	2.1111
C2	1.4776		1.4886	2.6618	2.0714	2.0714	1.1057	1.1057
C3	2.5053	1.4886		1.1742	2.7368	2.7368	2.1160	2.1160
N4	3.5299	2.6618	1.1742		3.5921	3.5921	3.1991	3.1991
H5	1.0262	2.0714	2.7368	3.5921		1.6436	2.4314	2.9719
H6	1.0262	2.0714	2.7368	3.5921	1.6436		2.9719	2.4314
H7	2.1111	1.1057	2.1160	3.1991	2.4314	2.9719		1.7769
H8	2.1111	1.1057	2.1160	3.1991	2.9719	2.4314	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.267	N1	C2	H7	108.760
N1	C2	H8	108.760	C2	N1	H5	110.345
C2	N1	H6	110.345	C2	C3	N4	176.988
C3	C2	H7	108.403	C3	C2	H8	108.403
H5	N1	H6	106.417	H7	C2	H8	106.939

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: BLYP/aug-cc-pVDZ

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	-0.036
2	C	1.167
3	C	-0.120
4	N	-0.158
5	H	-0.087
6	H	-0.087
7	H	-0.340
8	H	-0.340

	x	y	z	Total
	-1.603	2.168	0.000	2.696
CHELPG
AIM
ESP

	x	y	z
x	6.650	-1.343	0.000
y	-1.343	7.027	0.000
z	0.000	0.000	4.922

<r²>	84.907
(<r²>)^1/2	9.215

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)