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	hartrees
Energy at 0K	-188.044953
Energy at 298.15K	-188.049746
HF Energy	-188.044953
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3408	3.79
2	A'	3095	2947	9.80
3	A'	2382	2268	3.34
4	A'	1688	1607	35.69
5	A'	1476	1406	9.64
6	A'	1374	1308	12.38
7	A'	1137	1082	17.63
8	A'	919	876	100.23
9	A'	823	783	129.09
10	A'	572	545	16.58
11	A'	214	204	13.03
12	A"	3676	3501	12.87
13	A"	3146	2996	2.61
14	A"	1390	1324	0.00
15	A"	1200	1142	0.02
16	A"	900	857	0.01
17	A"	391	372	13.66
18	A"	265	252	57.64

Atom	x (Å)	y (Å)	z (Å)
N1	-1.447	0.733	0.000
C2	0.000	0.824	0.000
C3	0.719	-0.472	0.000
N4	1.249	-1.502	0.000
H5	-1.790	0.248	0.821
H6	-1.790	0.248	-0.821
H7	0.327	1.388	0.878
H8	0.327	1.388	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4503	2.4792	3.5022	1.0133	1.0133	2.0855	2.0855
C2	1.4503		1.4824	2.6403	2.0518	2.0518	1.0936	1.0936
C3	2.4792	1.4824		1.1583	2.7362	2.7362	2.0940	2.0940
N4	3.5022	2.6403	1.1583		3.6012	3.6012	3.1583	3.1583
H5	1.0133	2.0518	2.7362	3.6012		1.6417	2.4054	2.9442
H6	1.0133	2.0518	2.7362	3.6012	1.6417		2.9442	2.4054
H7	2.0855	1.0936	2.0940	3.1583	2.4054	2.9442		1.7559
H8	2.0855	1.0936	2.0940	3.1583	2.9442	2.4054	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.424	N1	C2	H7	109.327
N1	C2	H8	109.327	C2	N1	H5	111.552
C2	N1	H6	111.552	C2	C3	N4	178.177
C3	C2	H7	107.808	C3	C2	H8	107.808
H5	N1	H6	108.210	H7	C2	H8	106.800

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: wB97X-D/6-31+G**

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	-0.602
2	C	-0.253
3	C	0.291
4	N	-0.473
5	H	0.313
6	H	0.313
7	H	0.205
8	H	0.205

	x	y	z	Total
	-1.619	2.118	0.000	2.666
CHELPG
AIM
ESP

	x	y	z
x	5.378	-1.237	0.000
y	-1.237	6.100	0.000
z	0.000	0.000	4.038

<r²>	83.552
(<r²>)^1/2	9.141

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)