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	hartrees
Energy at 0K	-186.968315
Energy at 298.15K	-186.973352
HF Energy	-186.968315
Nuclear repulsion energy	104.123208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3745	3392	5.24
2	A'	3222	2917	14.75
3	A'	2595	2350	4.89
4	A'	1804	1634	27.61
5	A'	1598	1447	4.10
6	A'	1490	1349	19.64
7	A'	1194	1081	14.92
8	A'	1003	908	186.89
9	A'	893	809	41.51
10	A'	630	570	8.25
11	A'	245	222	17.51
12	A"	3830	3468	11.13
13	A"	3265	2957	7.33
14	A"	1501	1359	0.03
15	A"	1293	1171	0.00
16	A"	969	878	0.00
17	A"	438	396	2.74
18	A"	296	268	61.45

Atom	x (Å)	y (Å)	z (Å)
N1	-1.440	0.725	0.000
C2	0.000	0.823	0.000
C3	0.715	-0.479	0.000
N4	1.239	-1.481	0.000
H5	-1.768	0.236	0.807
H6	-1.768	0.236	-0.807
H7	0.325	1.378	0.871
H8	0.325	1.378	-0.871

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4431	2.4683	3.4695	0.9991	0.9991	2.0741	2.0741
C2	1.4431		1.4854	2.6155	2.0305	2.0305	1.0830	1.0830
C3	2.4683	1.4854		1.1303	2.7073	2.7073	2.0877	2.0877
N4	3.4695	2.6155	1.1303		3.5551	3.5551	3.1248	3.1248
H5	0.9991	2.0305	2.7073	3.5551		1.6138	2.3860	2.9163
H6	0.9991	2.0305	2.7073	3.5551	1.6138		2.9163	2.3860
H7	2.0741	1.0830	2.0877	3.1248	2.3860	2.9163		1.7425
H8	2.0741	1.0830	2.0877	3.1248	2.9163	2.3860	1.7425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.877	N1	C2	H7	109.557
N1	C2	H8	109.557	C2	N1	H5	111.186
C2	N1	H6	111.186	C2	C3	N4	178.807
C3	C2	H7	107.720	C3	C2	H8	107.720
H5	N1	H6	107.731	H7	C2	H8	107.115

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/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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Number	Element	Mulliken
1	N	-0.618
2	C	-0.211
3	C	0.104
4	N	-0.216
5	H	0.283
6	H	0.283
7	H	0.187
8	H	0.187

	x	y	z	Total
	-1.705	2.210	0.000	2.791
CHELPG
AIM
ESP

	x	y	z
x	4.589	-0.797	0.000
y	-0.797	4.962	0.000
z	0.000	0.000	3.674

<r²>	82.033
(<r²>)^1/2	9.057

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)