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	hartrees
Energy at 0K	-132.094381
Energy at 298.15K	-132.096053
HF Energy	-131.797587
Nuclear repulsion energy	58.869763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3685	3685	39.99
2	A'	3506	3506	59.98
3	A'	2276	2276	93.82
4	A'	1751	1751	53.91
5	A'	1102	1102	20.15
6	A'	521	521	93.32
7	A'	384	384	22.34
8	A'	203	203	491.74
9	A"	3803	3803	41.42
10	A"	1217	1217	7.61
11	A"	671	671	46.90
12	A"	334	334	7.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	1.361	0.000
C2	0.000	0.170	0.000
N3	-0.193	-1.179	0.000
H4	0.366	2.424	0.000
H5	-0.329	-1.678	0.861
H6	-0.329	-1.678	-0.861

	C1	C2	N3	H4	H5	H6
C1		1.2217	2.5821	1.0673	3.2157	3.2157
C2	1.2217		1.3627	2.2834	2.0656	2.0656
N3	2.5821	1.3627		3.6459	1.0049	1.0049
H4	1.0673	2.2834	3.6459		4.2488	4.2488
H5	3.2157	2.0656	1.0049	4.2488		1.7228
H6	3.2157	2.0656	1.0049	4.2488	1.7228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.190	C2	C1	H4	171.946
C2	N3	H5	120.740	C2	N3	H6	120.740
H5	N3	H6	118.009

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=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 HCCNH2 (Ethynamine)

using model chemistry: MP3=FULL/6-31G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)