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	hartrees
Energy at 0K	-187.579192
Energy at 298.15K	-187.583998
HF Energy	-186.939235
Nuclear repulsion energy	102.479338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3470	3470
2	A'	3082	3082
3	A'	2289	2289
4	A'	1724	1724
5	A'	1518	1518
6	A'	1389	1389
7	A'	1144	1144
8	A'	972	972
9	A'	866	866
10	A'	558	558
11	A'	206	206
12	A"	3561	3561
13	A"	3130	3130
14	A"	1415	1415
15	A"	1216	1216
16	A"	908	908
17	A"	395	395
18	A"	276	276

Atom	x (Å)	y (Å)	z (Å)
N1	-1.459	0.728	0.000
C2	0.000	0.838	0.000
C3	0.726	-0.461	0.000
N4	1.251	-1.510	0.000
H5	-1.762	0.195	0.818
H6	-1.762	0.195	-0.818
H7	0.314	1.410	0.882
H8	0.314	1.410	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4633	2.4871	3.5145	1.0217	1.0217	2.0945	2.0945
C2	1.4633		1.4876	2.6601	2.0458	2.0458	1.0971	1.0971
C3	2.4871	1.4876		1.1733	2.6990	2.6990	2.1086	2.1086
N4	3.5145	2.6601	1.1733		3.5567	3.5567	3.1906	3.1906
H5	1.0217	2.0458	2.6990	3.5567		1.6351	2.4057	2.9449
H6	1.0217	2.0458	2.6990	3.5567	1.6351		2.9449	2.4057
H7	2.0945	1.0971	2.1086	3.1906	2.4057	2.9449		1.7644
H8	2.0945	1.0971	2.1086	3.1906	2.9449	2.4057	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.881	N1	C2	H7	108.931
N1	C2	H8	108.931	C2	N1	H5	109.540
C2	N1	H6	109.540	C2	C3	N4	177.403
C3	C2	H7	108.388	C3	C2	H8	108.388
H5	N1	H6	106.296	H7	C2	H8	107.045

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD(T)=FULL/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(T)=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)