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	hartrees
Energy at 0K	-187.669417
Energy at 298.15K	-187.674294
HF Energy	-186.965884
Nuclear repulsion energy	103.205688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3572	3383	3.55
2	A'	3128	2963	7.87
3	A'	2378	2252	0.07
4	A'	1707	1617	24.59
5	A'	1510	1430	5.27
6	A'	1398	1325	11.88
7	A'	1151	1090	12.40
8	A'	973	922	141.70
9	A'	869	823	46.43
10	A'	580	549	6.89
11	A'	222	210	14.04
12	A"	3657	3464	7.82
13	A"	3176	3008	2.30
14	A"	1420	1345	0.01
15	A"	1221	1156	0.03
16	A"	912	864	0.01
17	A"	402	381	7.54
18	A"	279	264	54.70

Atom	x (Å)	y (Å)	z (Å)
N1	-1.453	0.726	0.000
C2	0.000	0.829	0.000
C3	0.718	-0.466	0.000
N4	1.248	-1.494	0.000
H5	-1.758	0.200	0.810
H6	-1.758	0.200	-0.810
H7	0.320	1.395	0.877
H8	0.320	1.395	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4568	2.4770	3.4967	1.0130	1.0130	2.0885	2.0885
C2	1.4568		1.4810	2.6374	2.0355	2.0355	1.0916	1.0916
C3	2.4770	1.4810		1.1567	2.6891	2.6891	2.0953	2.0953
N4	3.4967	2.6374	1.1567		3.5445	3.5445	3.1586	3.1586
H5	1.0130	2.0355	2.6891	3.5445		1.6199	2.3987	2.9316
H6	1.0130	2.0355	2.6891	3.5445	1.6199		2.9316	2.3987
H7	2.0885	1.0916	2.0953	3.1586	2.3987	2.9316		1.7536
H8	2.0885	1.0916	2.0953	3.1586	2.9316	2.3987	1.7536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.949	N1	C2	H7	109.238
N1	C2	H8	109.238	C2	N1	H5	109.701
C2	N1	H6	109.701	C2	C3	N4	178.269
C3	C2	H7	108.116	C3	C2	H8	108.116
H5	N1	H6	106.174	H7	C2	H8	106.881

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)