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	hartrees
Energy at 0K	-187.930519
Energy at 298.15K	-187.935385
HF Energy	-187.930519
Nuclear repulsion energy	103.560045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3402	0.50
2	A'	3083	2958	12.79
3	A'	2372	2276	3.53
4	A'	1730	1660	34.66
5	A'	1477	1417	10.54
6	A'	1376	1321	8.46
7	A'	1138	1092	13.51
8	A'	950	911	144.85
9	A'	864	829	82.02
10	A'	584	560	10.80
11	A'	218	210	12.16
12	A"	3626	3480	2.62
13	A"	3123	2996	5.13
14	A"	1410	1353	0.06
15	A"	1214	1165	0.10
16	A"	901	865	0.00
17	A"	409	393	15.48
18	A"	280	269	55.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.446	0.719	0.000
C2	0.000	0.822	0.000
C3	0.722	-0.459	0.000
N4	1.240	-1.489	0.000
H5	-1.764	0.207	0.814
H6	-1.764	0.207	-0.814
H7	0.319	1.397	0.874
H8	0.319	1.397	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4499	2.4675	3.4770	1.0125	1.0125	2.0835	2.0835
C2	1.4499		1.4709	2.6227	2.0377	2.0377	1.0935	1.0935
C3	2.4675	1.4709		1.1525	2.6994	2.6994	2.0908	2.0908
N4	3.4770	2.6227	1.1525		3.5446	3.5446	3.1525	3.1525
H5	1.0125	2.0377	2.6994	3.5446		1.6281	2.3999	2.9334
H6	1.0125	2.0377	2.6994	3.5446	1.6281		2.9334	2.3999
H7	2.0835	1.0935	2.0908	3.1525	2.3999	2.9334		1.7474
H8	2.0835	1.0935	2.0908	3.1525	2.9334	2.3999	1.7474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.300	N1	C2	H7	109.202
N1	C2	H8	109.202	C2	N1	H5	110.433
C2	N1	H6	110.433	C2	C3	N4	177.337
C3	C2	H7	108.337	C3	C2	H8	108.337
H5	N1	H6	107.021	H7	C2	H8	106.063

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HSEh1PBE/6-311G*

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	-0.727
2	C	-0.355
3	C	0.123
4	N	-0.272
5	H	0.339
6	H	0.339
7	H	0.277
8	H	0.277

	x	y	z	Total
	-1.604	1.943	0.000	2.520
CHELPG
AIM
ESP

	x	y	z
x	4.900	-0.992	0.000
y	-0.992	5.349	0.000
z	0.000	0.000	3.712

<r²>	82.383
(<r²>)^1/2	9.077

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)