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	hartrees
Energy at 0K	-132.525400
Energy at 298.15K	-132.527510
HF Energy	-131.903303
Nuclear repulsion energy	59.314419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3548	3439
2	A'	3490	3383
3	A'	2181	2114
4	A'	1650	1599
5	A'	1061	1028
6	A'	686	665
7	A'	492	477
8	A'	392	380
9	A"	3631	3519
10	A"	1209	1171
11	A"	652	632
12	A"	347	336

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	1.369	0.000
C2	0.000	0.160	0.000
N3	0.143	-1.191	0.000
H4	-0.125	2.424	0.000
H5	-0.231	-1.629	0.830
H6	-0.231	-1.629	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2113	2.5694	1.0559	3.1145	3.1145
C2	1.2113		1.3589	2.2672	1.9849	1.9849
N3	2.5694	1.3589		3.6250	1.0094	1.0094
H4	1.0559	2.2672	3.6250		4.1375	4.1375
H5	3.1145	1.9849	1.0094	4.1375		1.6593
H6	3.1145	1.9849	1.0094	4.1375	1.6593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.233	C2	C1	H4	179.737
C2	N3	H5	113.051	C2	N3	H6	113.051
H5	N3	H6	110.546

All results from a given calculation for HCCNH₂ (Ethynamine)

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

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-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)