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	hartrees
Energy at 0K	-185.398555
Energy at 298.15K
HF Energy	-185.303337
Nuclear repulsion energy	100.101691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3557	3557	9.18
2	A'	3369	3369	0.15
3	A'	2277	2277	25.51
4	A'	1878	1878	6.80
5	A'	1637	1637	2.98
6	A'	1455	1455	10.94
7	A'	1244	1244	23.83
8	A'	1007	1007	63.69
9	A'	890	890	13.21
10	A'	560	560	9.00
11	A'	204	204	9.19
12	A"	3744	3744	5.83
13	A"	3475	3475	1.20
14	A"	1517	1517	1.31
15	A"	1294	1294	0.45
16	A"	943	943	0.03
17	A"	393	393	19.14
18	A"	275	275	47.79

Atom	x (Å)	y (Å)	z (Å)
N1	-1.510	0.742	0.000
C2	0.000	0.865	0.000
C3	0.745	-0.458	0.000
N4	1.280	-1.537	0.000
H5	-1.737	0.120	0.826
H6	-1.737	0.120	-0.826
H7	0.303	1.441	0.897
H8	0.303	1.441	-0.897

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.5147	2.5542	3.6030	1.0583	1.0583	2.1399	2.1399
C2	1.5147		1.5181	2.7224	2.0622	2.0622	1.1078	1.1078
C3	2.5542	1.5181		1.2052	2.6788	2.6788	2.1452	2.1452
N4	3.6030	2.7224	1.2052		3.5403	3.5403	3.2598	3.2598
H5	1.0583	2.0622	2.6788	3.5403		1.6514	2.4311	2.9786
H6	1.0583	2.0622	2.6788	3.5403	1.6514		2.9786	2.4311
H7	2.1399	1.1078	2.1452	3.2598	2.4311	2.9786		1.7934
H8	2.1399	1.1078	2.1452	3.2598	2.9786	2.4311	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.744	N1	C2	H7	108.370
N1	C2	H8	108.370	C2	N1	H5	105.164
C2	N1	H6	105.164	C2	C3	N4	176.971
C3	C2	H7	108.548	C3	C2	H8	108.548
H5	N1	H6	102.563	H7	C2	H8	108.077

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)