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	hartrees
Energy at 0K	-187.763678
Energy at 298.15K	-187.768506
HF Energy	-187.018135
Nuclear repulsion energy	103.340610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3397	4.59
2	A'	3102	2969	8.39
3	A'	2361	2260	0.09
4	A'	1692	1619	24.20
5	A'	1504	1439	5.16
6	A'	1392	1332	12.94
7	A'	1136	1087	13.12
8	A'	955	914	108.99
9	A'	852	816	62.58
10	A'	575	550	8.71
11	A'	218	209	14.03
12	A"	3632	3476	10.49
13	A"	3146	3011	2.06
14	A"	1411	1350	0.01
15	A"	1218	1166	0.02
16	A"	904	866	0.09
17	A"	385	368	5.22
18	A"	261	249	53.66

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.724	0.000
C2	0.000	0.827	0.000
C3	0.719	-0.467	0.000
N4	1.249	-1.491	0.000
H5	-1.769	0.212	0.812
H6	-1.769	0.212	-0.812
H7	0.320	1.390	0.876
H8	0.320	1.390	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4547	2.4750	3.4920	1.0109	1.0109	2.0850	2.0850
C2	1.4547		1.4801	2.6331	2.0410	2.0410	1.0891	1.0891
C3	2.4750	1.4801		1.1532	2.7034	2.7034	2.0912	2.0912
N4	3.4920	2.6331	1.1532		3.5589	3.5589	3.1510	3.1510
H5	1.0109	2.0410	2.7034	3.5589		1.6242	2.3986	2.9322
H6	1.0109	2.0410	2.7034	3.5589	1.6242		2.9322	2.3986
H7	2.0850	1.0891	2.0912	3.1510	2.3986	2.9322		1.7516
H8	2.0850	1.0891	2.0912	3.1510	2.9322	2.3986	1.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.979	N1	C2	H7	109.256
N1	C2	H8	109.256	C2	N1	H5	110.451
C2	N1	H6	110.451	C2	C3	N4	178.303
C3	C2	H7	107.998	C3	C2	H8	107.998
H5	N1	H6	106.901	H7	C2	H8	107.062

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)