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	hartrees
Energy at 0K	-132.459137
Energy at 298.15K	-132.461219
HF Energy	-131.899276
Nuclear repulsion energy	59.105081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3545	3346
2	A'	3468	3273
3	A'	2164	2042
4	A'	1644	1552
5	A'	1053	994
6	A'	686	647
7	A'	495	467
8	A'	382	360
9	A"	3641	3436
10	A"	1207	1139
11	A"	646	609
12	A"	337	318

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	1.375	0.000
C2	0.000	0.160	0.000
N3	0.100	-1.200	0.000
H4	-0.035	2.439	0.000
H5	-0.286	-1.627	0.832
H6	-0.286	-1.627	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2150	2.5778	1.0635	3.1274	3.1274
C2	1.2150		1.3640	2.2785	1.9924	1.9924
N3	2.5778	1.3640		3.6410	1.0118	1.0118
H4	1.0635	2.2785	3.6410		4.1577	4.1577
H5	3.1274	1.9924	1.0118	4.1577		1.6636
H6	3.1274	1.9924	1.0118	4.1577	1.6636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.527	C2	C1	H4	179.679
C2	N3	H5	113.160	C2	N3	H6	113.160
H5	N3	H6	110.594

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)