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	hartrees
Energy at 0K	-187.611281
Energy at 298.15K	-187.616146
HF Energy	-186.983655
Nuclear repulsion energy	102.811854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3383	0.13
2	A'	3086	2955	12.64
3	A'	2319	2220	0.30
4	A'	1753	1679	33.39
5	A'	1509	1444	7.69
6	A'	1395	1336	11.68
7	A'	1151	1102	17.64
8	A'	983	941	188.23
9	A'	868	831	28.67
10	A'	572	547	10.97
11	A'	217	208	13.00
12	A"	3617	3463	1.42
13	A"	3131	2998	6.02
14	A"	1427	1367	0.10
15	A"	1228	1176	0.02
16	A"	909	870	0.16
17	A"	399	382	17.78
18	A"	281	269	53.07

Atom	x (Å)	y (Å)	z (Å)
N1	-1.456	0.734	0.000
C2	0.000	0.831	0.000
C3	0.722	-0.470	0.000
N4	1.250	-1.505	0.000
H5	-1.768	0.219	0.816
H6	-1.768	0.219	-0.816
H7	0.321	1.399	0.880
H8	0.321	1.399	-0.880

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4592	2.4889	3.5125	1.0140	1.0140	2.0910	2.0910
C2	1.4592		1.4888	2.6502	2.0411	2.0411	1.0948	1.0948
C3	2.4889	1.4888		1.1619	2.7095	2.7095	2.1045	2.1045
N4	3.5125	2.6502	1.1619		3.5704	3.5704	3.1737	3.1737
H5	1.0140	2.0411	2.7095	3.5704		1.6321	2.3994	2.9375
H6	1.0140	2.0411	2.7095	3.5704	1.6321		2.9375	2.3994
H7	2.0910	1.0948	2.1045	3.1737	2.3994	2.9375		1.7596
H8	2.0910	1.0948	2.1045	3.1737	2.9375	2.3994	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.183	N1	C2	H7	109.077
N1	C2	H8	109.077	C2	N1	H5	109.923
C2	N1	H6	109.923	C2	C3	N4	178.010
C3	C2	H7	108.124	C3	C2	H8	108.124
H5	N1	H6	107.186	H7	C2	H8	106.947

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/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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All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: QCISD/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)