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	hartrees
Energy at 0K	-188.092758
Energy at 298.15K	-188.097598
HF Energy	-188.092758
Nuclear repulsion energy	103.618399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3380	7.81
2	A'	3099	2962	6.44
3	A'	2398	2292	3.49
4	A'	1665	1592	26.49
5	A'	1480	1415	6.80
6	A'	1371	1310	11.33
7	A'	1130	1080	14.21
8	A'	936	895	92.09
9	A'	839	802	90.28
10	A'	584	558	10.22
11	A'	223	213	13.72
12	A"	3618	3458	16.91
13	A"	3140	3001	0.65
14	A"	1388	1327	0.00
15	A"	1201	1148	0.01
16	A"	899	859	0.02
17	A"	397	379	5.03
18	A"	263	251	52.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.447	0.716	0.000
C2	0.000	0.825	0.000
C3	0.720	-0.464	0.000
N4	1.244	-1.483	0.000
H5	-1.771	0.212	0.815
H6	-1.771	0.212	-0.815
H7	0.321	1.389	0.875
H8	0.321	1.389	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4513	2.4680	3.4763	1.0116	1.0116	2.0843	2.0843
C2	1.4513		1.4767	2.6226	2.0434	2.0434	1.0893	1.0893
C3	2.4680	1.4767		1.1462	2.7067	2.7067	2.0876	2.0876
N4	3.4763	2.6226	1.1462		3.5541	3.5541	3.1413	3.1413
H5	1.0116	2.0434	2.7067	3.5541		1.6305	2.4005	2.9353
H6	1.0116	2.0434	2.7067	3.5541	1.6305		2.9353	2.4005
H7	2.0843	1.0893	2.0876	3.1413	2.4005	2.9353		1.7503
H8	2.0843	1.0893	2.0876	3.1413	2.9353	2.4005	1.7503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.887	N1	C2	H7	109.425
N1	C2	H8	109.425	C2	N1	H5	110.865
C2	N1	H6	110.865	C2	C3	N4	178.044
C3	C2	H7	107.942	C3	C2	H8	107.942
H5	N1	H6	107.397	H7	C2	H8	106.918

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.637
2	C	-0.037
3	C	0.253
4	N	-0.525
5	H	0.157
6	H	0.157
7	H	0.316
8	H	0.316

	x	y	z	Total
	-1.619	2.200	0.000	2.731
CHELPG
AIM
ESP

	x	y	z
x	5.979	-1.051	0.000
y	-1.051	6.308	0.000
z	0.000	0.000	4.617

<r²>	82.620
(<r²>)^1/2	9.090

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)