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	hartrees
Energy at 0K	-187.522627
Energy at 298.15K	-187.527575
HF Energy	-186.986237
Nuclear repulsion energy	103.593866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3661	3388	1.21
2	A'	3178	2941	12.28
3	A'	2449	2266	0.51
4	A'	1796	1662	36.23
5	A'	1550	1435	7.94
6	A'	1440	1333	13.59
7	A'	1180	1092	13.74
8	A'	999	924	200.91
9	A'	889	822	41.25
10	A'	600	555	11.13
11	A'	229	212	14.78
12	A"	3743	3464	4.32
13	A"	3224	2983	5.88
14	A"	1464	1355	0.03
15	A"	1263	1168	0.01
16	A"	936	866	0.06
17	A"	416	385	11.23
18	A"	287	266	61.45

Atom	x (Å)	y (Å)	z (Å)
N1	-1.445	0.729	0.000
C2	0.000	0.824	0.000
C3	0.717	-0.473	0.000
N4	1.243	-1.492	0.000
H5	-1.768	0.231	0.812
H6	-1.768	0.231	-0.812
H7	0.323	1.386	0.873
H8	0.323	1.386	-0.873

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4483	2.4738	3.4874	1.0053	1.0053	2.0785	2.0785
C2	1.4483		1.4824	2.6292	2.0336	2.0336	1.0873	1.0873
C3	2.4738	1.4824		1.1470	2.7073	2.7073	2.0913	2.0913
N4	3.4874	2.6292	1.1470		3.5633	3.5633	3.1453	3.1453
H5	1.0053	2.0336	2.7073	3.5633		1.6235	2.3891	2.9229
H6	1.0053	2.0336	2.7073	3.5633	1.6235		2.9229	2.3891
H7	2.0785	1.0873	2.0913	3.1453	2.3891	2.9229		1.7467
H8	2.0785	1.0873	2.0913	3.1453	2.9229	2.3891	1.7467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.147	N1	C2	H7	109.292
N1	C2	H8	109.292	C2	N1	H5	110.662
C2	N1	H6	110.662	C2	C3	N4	178.398
C3	C2	H7	107.956	C3	C2	H8	107.956
H5	N1	H6	107.693	H7	C2	H8	106.880

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)