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	hartrees
Energy at 0K	-132.358267
Energy at 298.15K	-132.360106
HF Energy	-131.866571
Nuclear repulsion energy	58.483034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3510	3423
2	A'	3469	3383
3	A'	2153	2099
4	A'	1627	1587
5	A'	1042	1016
6	A'	694	677
7	A'	465	453
8	A'	271	264
9	A"	3608	3519
10	A"	1203	1173
11	A"	576	561
12	A"	289	282

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	1.391	0.000
C2	0.000	0.159	0.000
N3	0.069	-1.216	0.000
H4	0.025	2.466	0.000
H5	-0.346	-1.628	0.834
H6	-0.346	-1.628	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2331	2.6075	1.0745	3.1554	3.1554
C2	1.2331		1.3762	2.3074	2.0022	2.0022
N3	2.6075	1.3762		3.6820	1.0190	1.0190
H4	1.0745	2.3074	3.6820		4.1949	4.1949
H5	3.1554	2.0022	1.0190	4.1949		1.6682
H6	3.1554	2.0022	1.0190	4.1949	1.6682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.712	C2	C1	H4	178.351
C2	N3	H5	112.572	C2	N3	H6	112.572
H5	N3	H6	109.883

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP4=FULL/aug-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 HCCNH2 (Ethynamine)

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)