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	hartrees
Energy at 0K	-187.542917
Energy at 298.15K	-187.547748
HF Energy	-186.940307
Nuclear repulsion energy	102.607055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3331	0.55
2	A'	3101	2953	11.14
3	A'	2334	2223	0.22
4	A'	1733	1650	27.91
5	A'	1527	1454	5.97
6	A'	1400	1333	11.33
7	A'	1153	1098	16.66
8	A'	979	933	176.77
9	A'	872	830	39.40
10	A'	566	539	10.65
11	A'	210	200	13.31
12	A"	3586	3415	2.14
13	A"	3147	2997	5.67
14	A"	1422	1354	0.06
15	A"	1224	1165	0.01
16	A"	915	872	0.10
17	A"	398	379	20.60
18	A"	279	266	53.91

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.731	0.000
C2	0.000	0.835	0.000
C3	0.723	-0.466	0.000
N4	1.252	-1.508	0.000
H5	-1.766	0.205	0.817
H6	-1.766	0.205	-0.817
H7	0.316	1.405	0.881
H8	0.316	1.405	-0.881

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4611	2.4872	3.5149	1.0200	1.0200	2.0918	2.0918
C2	1.4611		1.4882	2.6563	2.0456	2.0456	1.0959	1.0959
C3	2.4872	1.4882		1.1685	2.7040	2.7040	2.1075	2.1075
N4	3.5149	2.6563	1.1685		3.5651	3.5651	3.1836	3.1836
H5	1.0200	2.0456	2.7040	3.5651		1.6341	2.4045	2.9429
H6	1.0200	2.0456	2.7040	3.5651	1.6341		2.9429	2.4045
H7	2.0918	1.0959	2.1075	3.1836	2.4045	2.9429		1.7620
H8	2.0918	1.0959	2.1075	3.1836	2.9429	2.4045	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.979	N1	C2	H7	108.949
N1	C2	H8	108.949	C2	N1	H5	109.796
C2	N1	H6	109.796	C2	C3	N4	177.900
C3	C2	H7	108.333	C3	C2	H8	108.333
H5	N1	H6	106.460	H7	C2	H8	107.010

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)