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	hartrees
Energy at 0K	-187.455799
Energy at 298.15K	-187.460725
HF Energy	-186.943190
Nuclear repulsion energy	103.399478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3628	3351	2.71
2	A'	3192	2949	9.96
3	A'	2475	2286	0.47
4	A'	1775	1640	31.28
5	A'	1567	1447	6.40
6	A'	1445	1335	12.87
7	A'	1183	1093	13.55
8	A'	1000	923	187.90
9	A'	893	825	54.43
10	A'	596	550	10.68
11	A'	224	207	15.15
12	A"	3718	3434	6.64
13	A"	3241	2994	4.75
14	A"	1459	1347	0.01
15	A"	1258	1162	0.00
16	A"	941	869	0.02
17	A"	414	383	14.06
18	A"	290	268	62.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.447	0.726	0.000
C2	0.000	0.828	0.000
C3	0.718	-0.468	0.000
N4	1.245	-1.494	0.000
H5	-1.767	0.218	0.813
H6	-1.767	0.218	-0.813
H7	0.318	1.392	0.875
H8	0.318	1.392	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4505	2.4725	3.4889	1.0109	1.0109	2.0797	2.0797
C2	1.4505		1.4818	2.6342	2.0387	2.0387	1.0885	1.0885
C3	2.4725	1.4818		1.1527	2.7033	2.7033	2.0943	2.0943
N4	3.4889	2.6342	1.1527		3.5586	3.5586	3.1545	3.1545
H5	1.0109	2.0387	2.7033	3.5586		1.6265	2.3941	2.9287
H6	1.0109	2.0387	2.7033	3.5586	1.6265		2.9287	2.3941
H7	2.0797	1.0885	2.0943	3.1545	2.3941	2.9287		1.7494
H8	2.0797	1.0885	2.0943	3.1545	2.9287	2.3941	1.7494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.949	N1	C2	H7	109.162
N1	C2	H8	109.162	C2	N1	H5	110.564
C2	N1	H6	110.564	C2	C3	N4	178.225
C3	C2	H7	108.161	C3	C2	H8	108.161
H5	N1	H6	107.121	H7	C2	H8	106.951

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)