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	hartrees
Energy at 0K	-187.955449
Energy at 298.15K	-187.960286
HF Energy	-187.955449
Nuclear repulsion energy	103.626843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3407	4.19
2	A'	3077	2954	9.20
3	A'	2377	2282	4.11
4	A'	1678	1611	31.27
5	A'	1460	1402	10.48
6	A'	1371	1316	8.97
7	A'	1127	1082	14.98
8	A'	931	894	88.18
9	A'	835	801	120.47
10	A'	580	557	13.21
11	A'	218	210	11.96
12	A"	3635	3490	9.12
13	A"	3117	2993	2.28
14	A"	1390	1335	0.01
15	A"	1198	1151	0.00
16	A"	896	860	0.00
17	A"	399	383	12.20
18	A"	273	262	53.61

Atom	x (Å)	y (Å)	z (Å)
N1	-1.444	0.721	0.000
C2	0.000	0.819	0.000
C3	0.719	-0.463	0.000
N4	1.243	-1.488	0.000
H5	-1.776	0.225	0.817
H6	-1.776	0.225	-0.817
H7	0.326	1.389	0.874
H8	0.326	1.389	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4476	2.4659	3.4784	1.0116	1.0116	2.0837	2.0837
C2	1.4476		1.4696	2.6199	2.0428	2.0428	1.0929	1.0929
C3	2.4659	1.4696		1.1508	2.7132	2.7132	2.0852	2.0852
N4	3.4784	2.6199	1.1508		3.5652	3.5652	3.1431	3.1431
H5	1.0116	2.0428	2.7132	3.5652		1.6337	2.4028	2.9374
H6	1.0116	2.0428	2.7132	3.5652	1.6337		2.9374	2.4028
H7	2.0837	1.0929	2.0852	3.1431	2.4028	2.9374		1.7476
H8	2.0837	1.0929	2.0852	3.1431	2.9374	2.4028	1.7476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.404	N1	C2	H7	109.414
N1	C2	H8	109.414	C2	N1	H5	111.093
C2	N1	H6	111.093	C2	C3	N4	177.829
C3	C2	H7	108.021	C3	C2	H8	108.021
H5	N1	H6	107.700	H7	C2	H8	106.163

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HSEh1PBE/TZVP

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	-0.403
2	C	-0.229
3	C	-0.046
4	N	-0.107
5	H	0.215
6	H	0.215
7	H	0.177
8	H	0.177

	x	y	z	Total
	-1.642	2.089	0.000	2.657
CHELPG
AIM
ESP

	x	y	z
x	5.253	-1.130	0.000
y	-1.130	5.849	0.000
z	0.000	0.000	3.972

<r²>	82.565
(<r²>)^1/2	9.087

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)