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	hartrees
Energy at 0K	-187.580062
Energy at 298.15K	-187.584948
HF Energy	-186.961526
Nuclear repulsion energy	102.744161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3337	0.89
2	A'	3130	2943	11.85
3	A'	2418	2274	0.13
4	A'	1687	1586	18.74
5	A'	1482	1394	5.05
6	A'	1386	1303	16.74
7	A'	1157	1088	12.00
8	A'	993	933	138.67
9	A'	882	829	30.15
10	A'	575	541	8.52
11	A'	214	201	11.63
12	A"	3629	3412	3.13
13	A"	3181	2992	4.89
14	A"	1415	1330	0.20
15	A"	1214	1141	0.05
16	A"	907	853	0.22
17	A"	405	381	16.95
18	A"	287	269	44.03

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.732	0.000
C2	0.000	0.838	0.000
C3	0.723	-0.465	0.000
N4	1.242	-1.506	0.000
H5	-1.744	0.182	0.810
H6	-1.744	0.182	-0.810
H7	0.325	1.407	0.884
H8	0.325	1.407	-0.884

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4605	2.4870	3.5061	1.0210	1.0210	2.1005	2.1005
C2	1.4605		1.4899	2.6523	2.0321	2.0321	1.1007	1.1007
C3	2.4870	1.4899		1.1631	2.6765	2.6765	2.1081	2.1081
N4	3.5061	2.6523	1.1631		3.5248	3.5248	3.1791	3.1791
H5	1.0210	2.0321	2.6765	3.5248		1.6208	2.4063	2.9421
H6	1.0210	2.0321	2.6765	3.5248	1.6208		2.9421	2.4063
H7	2.1005	1.1007	2.1081	3.1791	2.4063	2.9421		1.7681
H8	2.1005	1.1007	2.1081	3.1791	2.9421	2.4063	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.902	N1	C2	H7	109.397
N1	C2	H8	109.397	C2	N1	H5	108.657
C2	N1	H6	108.657	C2	C3	N4	177.462
C3	C2	H7	107.986	C3	C2	H8	107.986
H5	N1	H6	105.062	H7	C2	H8	106.865

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)