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	hartrees
Energy at 0K	-187.727666
Energy at 298.15K	-187.732519
HF Energy	-187.009092
Nuclear repulsion energy	103.195267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3358	1.90
2	A'	3111	2948	11.35
3	A'	2354	2230	0.20
4	A'	1688	1600	25.81
5	A'	1500	1421	5.76
6	A'	1410	1336	16.01
7	A'	1139	1080	14.66
8	A'	966	915	145.33
9	A'	861	816	46.09
10	A'	570	540	11.64
11	A'	217	206	13.01
12	A"	3629	3439	4.07
13	A"	3157	2991	4.92
14	A"	1417	1342	0.10
15	A"	1215	1151	0.03
16	A"	915	867	0.62
17	A"	391	370	14.82
18	A"	276	262	50.68

Atom	x (Å)	y (Å)	z (Å)
N1	-1.453	0.727	0.000
C2	0.000	0.828	0.000
C3	0.719	-0.467	0.000
N4	1.250	-1.494	0.000
H5	-1.769	0.214	0.814
H6	-1.769	0.214	-0.814
H7	0.321	1.390	0.877
H8	0.321	1.390	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4565	2.4794	3.4989	1.0127	1.0127	2.0865	2.0865
C2	1.4565		1.4816	2.6370	2.0418	2.0418	1.0895	1.0895
C3	2.4794	1.4816		1.1558	2.7055	2.7055	2.0919	2.0919
N4	3.4989	2.6370	1.1558		3.5632	3.5632	3.1541	3.1541
H5	1.0127	2.0418	2.7055	3.5632		1.6272	2.3989	2.9338
H6	1.0127	2.0418	2.7055	3.5632	1.6272		2.9338	2.3989
H7	2.0865	1.0895	2.0919	3.1541	2.3989	2.9338		1.7532
H8	2.0865	1.0895	2.0919	3.1541	2.9338	2.3989	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.101	N1	C2	H7	109.225
N1	C2	H8	109.225	C2	N1	H5	110.269
C2	N1	H6	110.269	C2	C3	N4	178.282
C3	C2	H7	107.930	C3	C2	H8	107.930
H5	N1	H6	106.913	H7	C2	H8	107.135

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)