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	hartrees
Energy at 0K	-187.541222
Energy at 298.15K	-187.546057
HF Energy	-186.940561
Nuclear repulsion energy	102.661643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3501	3306	0.60
2	A'	3104	2931	10.67
3	A'	2350	2219	0.37
4	A'	1734	1637	28.07
5	A'	1528	1443	6.07
6	A'	1402	1323	11.20
7	A'	1154	1090	16.52
8	A'	981	927	175.30
9	A'	874	825	40.66
10	A'	567	535	10.61
11	A'	210	198	13.29
12	A"	3589	3389	2.28
13	A"	3151	2975	5.33
14	A"	1423	1344	0.07
15	A"	1225	1157	0.01
16	A"	916	865	0.09
17	A"	398	376	20.39
18	A"	280	264	54.24

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.730	0.000
C2	0.000	0.835	0.000
C3	0.722	-0.466	0.000
N4	1.252	-1.506	0.000
H5	-1.766	0.204	0.817
H6	-1.766	0.204	-0.817
H7	0.316	1.404	0.881
H8	0.316	1.404	-0.881

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4607	2.4861	3.5127	1.0198	1.0198	2.0914	2.0914
C2	1.4607		1.4876	2.6543	2.0453	2.0453	1.0956	1.0956
C3	2.4861	1.4876		1.1672	2.7031	2.7031	2.1068	2.1068
N4	3.5127	2.6543	1.1672		3.5632	3.5632	3.1815	3.1815
H5	1.0198	2.0453	2.7031	3.5632		1.6340	2.4041	2.9424
H6	1.0198	2.0453	2.7031	3.5632	1.6340		2.9424	2.4041
H7	2.0914	1.0956	2.1068	3.1815	2.4041	2.9424		1.7616
H8	2.0914	1.0956	2.1068	3.1815	2.9424	2.4041	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.964	N1	C2	H7	108.958
N1	C2	H8	108.958	C2	N1	H5	109.803
C2	N1	H6	109.803	C2	C3	N4	177.920
C3	C2	H7	108.334	C3	C2	H8	108.334
H5	N1	H6	106.471	H7	C2	H8	107.008

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)