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	hartrees
Energy at 0K	-186.884133
Energy at 298.15K	-186.889019
HF Energy	-186.884133
Nuclear repulsion energy	103.069814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3818	3436	8.17
2	A'	3275	2947	24.73
3	A'	2511	2260	3.83
4	A'	1837	1653	43.95
5	A'	1631	1467	11.88
6	A'	1511	1360	8.43
7	A'	1202	1082	40.46
8	A'	947	852	89.22
9	A'	662	596	140.52
10	A'	602	542	261.50
11	A'	253	227	14.88
12	A"	3950	3555	20.89
13	A"	3335	3001	13.91
14	A"	1487	1338	0.31
15	A"	1300	1170	2.42
16	A"	969	872	0.76
17	A"	427	384	3.73
18	A"	275	247	60.49

Atom	x (Å)	y (Å)	z (Å)
N1	-1.445	0.716	0.000
C2	0.000	0.818	0.000
C3	0.721	-0.488	0.000
N4	1.271	-1.501	0.000
H5	-1.874	0.388	0.837
H6	-1.874	0.388	-0.837
H7	0.321	1.373	0.868
H8	0.321	1.373	-0.868

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4488	2.4780	3.5063	0.9960	0.9960	2.0754	2.0754
C2	1.4488		1.4916	2.6444	2.0970	2.0970	1.0800	1.0800
C3	2.4780	1.4916		1.1528	2.8635	2.8635	2.0927	2.0927
N4	3.5063	2.6444	1.1528		3.7631	3.7631	3.1495	3.1495
H5	0.9960	2.0970	2.8635	3.7631		1.6735	2.4069	2.9495
H6	0.9960	2.0970	2.8635	3.7631	1.6735		2.9495	2.4069
H7	2.0754	1.0800	2.0927	3.1495	2.4069	2.9495		1.7369
H8	2.0754	1.0800	2.0927	3.1495	2.9495	2.4069	1.7369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.858	N1	C2	H7	109.451
N1	C2	H8	109.451	C2	N1	H5	116.922
C2	N1	H6	116.922	C2	C3	N4	179.651
C3	C2	H7	107.866	C3	C2	H8	107.866
H5	N1	H6	114.313	H7	C2	H8	107.058

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/LANL2DZ

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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Number	Element	Mulliken
1	N	-0.721
2	C	-0.218
3	C	-0.081
4	N	-0.088
5	H	0.326
6	H	0.326
7	H	0.228
8	H	0.228

	x	y	z	Total
	-1.916	2.416	0.000	3.084
CHELPG
AIM
ESP

	x	y	z
x	4.254	-0.984	0.000
y	-0.984	4.660	0.000
z	0.000	0.000	3.328

<r²>	84.576
(<r²>)^1/2	9.197

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)