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	hartrees
Energy at 0K	-188.047949
Energy at 298.15K	-188.052771
HF Energy	-188.047949
Nuclear repulsion energy	103.154994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3528	6.46
2	A'	3112	3112	8.31
3	A'	2391	2391	3.24
4	A'	1648	1648	26.92
5	A'	1452	1452	8.43
6	A'	1343	1343	11.44
7	A'	1138	1138	13.65
8	A'	940	940	89.27
9	A'	840	840	85.68
10	A'	577	577	11.35
11	A'	215	215	12.99
12	A"	3615	3615	14.11
13	A"	3160	3160	1.38
14	A"	1376	1376	0.00
15	A"	1184	1184	0.00
16	A"	891	891	0.03
17	A"	391	391	8.27
18	A"	269	269	49.24

Atom	x (Å)	y (Å)	z (Å)
N1	-1.450	0.722	0.000
C2	0.000	0.831	0.000
C3	0.721	-0.464	0.000
N4	1.245	-1.495	0.000
H5	-1.769	0.208	0.816
H6	-1.769	0.208	-0.816
H7	0.321	1.396	0.882
H8	0.321	1.396	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4539	2.4743	3.4900	1.0162	1.0162	2.0901	2.0901
C2	1.4539		1.4824	2.6382	2.0453	2.0453	1.0959	1.0959
C3	2.4743	1.4824		1.1563	2.7057	2.7057	2.0976	2.0976
N4	3.4900	2.6382	1.1563		3.5572	3.5572	3.1610	3.1610
H5	1.0162	2.0453	2.7057	3.5572		1.6329	2.4049	2.9436
H6	1.0162	2.0453	2.7057	3.5572	1.6329		2.9436	2.4049
H7	2.0901	1.0959	2.0976	3.1610	2.4049	2.9436		1.7643
H8	2.0901	1.0959	2.0976	3.1610	2.9436	2.4049	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.841	N1	C2	H7	109.306
N1	C2	H8	109.306	C2	N1	H5	110.543
C2	N1	H6	110.543	C2	C3	N4	177.820
C3	C2	H7	107.951	C3	C2	H8	107.951
H5	N1	H6	106.924	H7	C2	H8	107.214

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

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

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	-0.146
2	C	0.914
3	C	-0.037
4	N	-0.237
5	H	-0.026
6	H	-0.026
7	H	-0.221
8	H	-0.221

	x	y	z	Total
	-1.587	2.167	0.000	2.686
CHELPG
AIM
ESP

	x	y	z
x	5.957	-1.093	0.000
y	-1.093	6.364	0.000
z	0.000	0.000	4.580

<r²>	83.129
(<r²>)^1/2	9.118

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)