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	hartrees
Energy at 0K	-188.089182
Energy at 298.15K	-188.094030
HF Energy	-188.089182
Nuclear repulsion energy	103.615983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3535	3376	6.65
2	A'	3098	2959	7.07
3	A'	2400	2292	3.16
4	A'	1666	1592	25.63
5	A'	1480	1414	6.93
6	A'	1370	1309	10.57
7	A'	1133	1082	13.36
8	A'	940	897	107.28
9	A'	846	808	85.95
10	A'	584	558	9.77
11	A'	221	211	12.91
12	A"	3619	3456	13.20
13	A"	3139	2998	1.12
14	A"	1390	1328	0.00
15	A"	1201	1147	0.02
16	A"	900	860	0.02
17	A"	399	381	7.26
18	A"	267	255	51.10

Atom	x (Å)	y (Å)	z (Å)
N1	-1.448	0.717	0.000
C2	0.000	0.826	0.000
C3	0.720	-0.463	0.000
N4	1.243	-1.484	0.000
H5	-1.765	0.206	0.814
H6	-1.765	0.206	-0.814
H7	0.321	1.390	0.875
H8	0.321	1.390	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4518	2.4679	3.4757	1.0120	1.0120	2.0854	2.0854
C2	1.4518		1.4767	2.6230	2.0401	2.0401	1.0895	1.0895
C3	2.4679	1.4767		1.1468	2.6990	2.6990	2.0877	2.0877
N4	3.4757	2.6230	1.1468		3.5445	3.5445	3.1421	3.1421
H5	1.0120	2.0401	2.6990	3.5445		1.6280	2.3998	2.9340
H6	1.0120	2.0401	2.6990	3.5445	1.6280		2.9340	2.3998
H7	2.0854	1.0895	2.0877	3.1421	2.3998	2.9340		1.7500
H8	2.0854	1.0895	2.0877	3.1421	2.9340	2.3998	1.7500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.854	N1	C2	H7	109.470
N1	C2	H8	109.470	C2	N1	H5	110.527
C2	N1	H6	110.527	C2	C3	N4	177.943
C3	C2	H7	107.938	C3	C2	H8	107.938
H5	N1	H6	107.089	H7	C2	H8	106.864

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: M06-2X/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	-0.396
2	C	-0.149
3	C	-0.085
4	N	-0.058
5	H	0.189
6	H	0.189
7	H	0.155
8	H	0.155

	x	y	z	Total
	-1.637	2.150	0.000	2.702
CHELPG
AIM
ESP

	x	y	z
x	5.346	-0.962	0.000
y	-0.962	5.706	0.000
z	0.000	0.000	4.118

<r²>	82.406
(<r²>)^1/2	9.078

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)