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	hartrees
Energy at 0K	-187.223360
Energy at 298.15K	-187.228123
HF Energy	-186.855865
Nuclear repulsion energy	102.288713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3646	3410	3.43
2	A'	3130	2927	13.87
3	A'	2373	2220	0.02
4	A'	1785	1669	32.38
5	A'	1564	1463	8.76
6	A'	1444	1350	3.93
7	A'	1145	1071	22.99
8	A'	915	856	73.35
9	A'	712	666	284.50
10	A'	573	536	42.63
11	A'	208	194	11.22
12	A"	3762	3519	8.55
13	A"	3174	2968	7.43
14	A"	1433	1341	0.16
15	A"	1252	1171	0.85
16	A"	928	868	0.11
17	A"	389	364	23.94
18	A"	269	252	48.92

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.717	0.000
C2	0.000	0.826	0.000
C3	0.735	-0.473	0.000
N4	1.269	-1.513	0.000
H5	-1.858	0.328	0.840
H6	-1.858	0.328	-0.840
H7	0.310	1.400	0.878
H8	0.310	1.400	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4612	2.4943	3.5221	1.0084	1.0084	2.0884	2.0884
C2	1.4612		1.4929	2.6617	2.0990	2.0990	1.0939	1.0939
C3	2.4943	1.4929		1.1693	2.8413	2.8413	2.1121	2.1121
N4	3.5221	2.6617	1.1693		3.7252	3.7252	3.1906	3.1906
H5	1.0084	2.0990	2.8413	3.7252		1.6796	2.4191	2.9667
H6	1.0084	2.0990	2.8413	3.7252	1.6796		2.9667	2.4191
H7	2.0884	1.0939	2.1121	3.1906	2.4191	2.9667		1.7561
H8	2.0884	1.0939	2.1121	3.1906	2.9667	2.4191	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.202	N1	C2	H7	108.788
N1	C2	H8	108.788	C2	N1	H5	115.184
C2	N1	H6	115.184	C2	C3	N4	177.664
C3	C2	H7	108.485	C3	C2	H8	108.485
H5	N1	H6	112.774	H7	C2	H8	106.774

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)