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	hartrees
Energy at 0K	-187.850975
Energy at 298.15K	-187.855816
HF Energy	-187.014224
Nuclear repulsion energy	103.335492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3529	3377
2	A'	3092	2959
3	A'	2292	2194
4	A'	1679	1607
5	A'	1490	1426
6	A'	1377	1317
7	A'	1130	1082
8	A'	952	911
9	A'	854	817
10	A'	567	543
11	A'	217	207
12	A"	3607	3452
13	A"	3118	2984
14	A"	1403	1342
15	A"	1209	1157
16	A"	895	857
17	A"	392	375
18	A"	276	264

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.723	0.000
C2	0.000	0.829	0.000
C3	0.718	-0.460	0.000
N4	1.245	-1.494	0.000
H5	-1.755	0.200	0.810
H6	-1.755	0.200	-0.810
H7	0.319	1.392	0.873
H8	0.319	1.392	-0.873

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4545	2.4708	3.4903	1.0111	1.0111	2.0835	2.0835
C2	1.4545		1.4759	2.6356	2.0329	2.0329	1.0868	1.0868
C3	2.4708	1.4759		1.1602	2.6853	2.6853	2.0865	2.0865
N4	3.4903	2.6356	1.1602		3.5395	3.5395	3.1544	3.1544
H5	1.0111	2.0329	2.6853	3.5395		1.6201	2.3929	2.9250
H6	1.0111	2.0329	2.6853	3.5395	1.6201		2.9250	2.3929
H7	2.0835	1.0868	2.0865	3.1544	2.3929	2.9250		1.7464
H8	2.0835	1.0868	2.0865	3.1544	2.9250	2.3929	1.7464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.946	N1	C2	H7	109.281
N1	C2	H8	109.281	C2	N1	H5	109.761
C2	N1	H6	109.761	C2	C3	N4	177.877
C3	C2	H7	108.054	C3	C2	H8	108.054
H5	N1	H6	106.477	H7	C2	H8	106.922

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)