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	hartrees
Energy at 0K	-187.958521
Energy at 298.15K
HF Energy	-187.722013
Nuclear repulsion energy	103.205336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3537	2.68
2	A'	3097	3097	9.81
3	A'	2293	2293	0.09
4	A'	1687	1687	22.04
5	A'	1488	1488	5.67
6	A'	1378	1378	10.84
7	A'	1130	1130	13.71
8	A'	948	948	124.61
9	A'	857	857	57.98
10	A'	578	578	7.08
11	A'	222	222	12.46
12	A"	3621	3621	6.34
13	A"	3141	3141	2.99
14	A"	1405	1405	0.01
15	A"	1209	1209	0.05
16	A"	905	905	0.00
17	A"	409	409	7.46
18	A"	279	279	51.83

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.721	0.000
C2	0.000	0.828	0.000
C3	0.720	-0.458	0.000
N4	1.249	-1.493	0.000
H5	-1.758	0.195	0.811
H6	-1.758	0.195	-0.811
H7	0.316	1.398	0.876
H8	0.316	1.398	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4576	2.4730	3.4931	1.0134	1.0134	2.0873	2.0873
C2	1.4576		1.4742	2.6353	2.0372	2.0372	1.0917	1.0917
C3	2.4730	1.4742		1.1615	2.6882	2.6882	2.0921	2.0921
N4	3.4931	2.6353	1.1615		3.5420	3.5420	3.1613	3.1613
H5	1.0134	2.0372	2.6882	3.5420		1.6217	2.3988	2.9317
H6	1.0134	2.0372	2.6882	3.5420	1.6217		2.9317	2.3988
H7	2.0873	1.0917	2.0921	3.1613	2.3988	2.9317		1.7518
H8	2.0873	1.0917	2.0921	3.1613	2.9317	2.3988	1.7518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.021	N1	C2	H7	109.081
N1	C2	H8	109.081	C2	N1	H5	109.752
C2	N1	H6	109.752	C2	C3	N4	177.818
C3	C2	H7	108.320	C3	C2	H8	108.320
H5	N1	H6	106.286	H7	C2	H8	106.698

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)