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	hartrees
Energy at 0K	-187.576338
Energy at 298.15K	-187.581210
HF Energy	-186.960483
Nuclear repulsion energy	102.476445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3368	0.57
2	A'	3105	2971	13.20
3	A'	2351	2249	0.49
4	A'	1683	1610	18.26
5	A'	1479	1415	4.50
6	A'	1382	1323	17.23
7	A'	1154	1104	12.02
8	A'	990	948	140.00
9	A'	876	838	26.92
10	A'	569	544	8.39
11	A'	213	203	11.48
12	A"	3603	3447	2.48
13	A"	3157	3020	5.69
14	A"	1410	1349	0.19
15	A"	1210	1157	0.04
16	A"	905	866	0.27
17	A"	402	385	17.69
18	A"	286	274	42.65

Atom	x (Å)	y (Å)	z (Å)
N1	-1.458	0.739	0.000
C2	0.000	0.839	0.000
C3	0.721	-0.469	0.000
N4	1.246	-1.512	0.000
H5	-1.749	0.188	0.812
H6	-1.749	0.188	-0.812
H7	0.327	1.409	0.886
H8	0.327	1.409	-0.886

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4618	2.4920	3.5194	1.0233	1.0233	2.1025	2.1025
C2	1.4618		1.4929	2.6610	2.0349	2.0349	1.1032	1.1032
C3	2.4920	1.4929		1.1686	2.6817	2.6817	2.1129	2.1129
N4	3.5194	2.6610	1.1686		3.5385	3.5385	3.1880	3.1880
H5	1.0233	2.0349	2.6817	3.5385		1.6233	2.4092	2.9464
H6	1.0233	2.0349	2.6817	3.5385	1.6233		2.9464	2.4092
H7	2.1025	1.1032	2.1129	3.1880	2.4092	2.9464		1.7724
H8	2.1025	1.1032	2.1129	3.1880	2.9464	2.4092	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.993	N1	C2	H7	109.310
N1	C2	H8	109.310	C2	N1	H5	108.649
C2	N1	H6	108.649	C2	C3	N4	177.809
C3	C2	H7	108.012	C3	C2	H8	108.012
H5	N1	H6	104.965	H7	C2	H8	106.894

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)