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	hartrees
Energy at 0K	-132.458288
Energy at 298.15K	-132.453475
HF Energy	-131.843320
Nuclear repulsion energy	59.810254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3782	22.95
2	A'	3660	3660	82.77
3	A'	2427	2427	83.21
4	A'	1822	1822	35.39
5	A'	1133	1133	13.30
6	A'	741	741	268.85
7	A'	605	605	104.34
8	A'	498	498	30.92
9	A"	3878	3878	34.46
10	A"	1328	1328	0.00
11	A"	807	807	36.01
12	A"	418	418	5.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.209	1.335	0.000
C2	0.000	0.169	0.000
N3	0.258	-1.166	0.000
H4	-0.419	2.371	0.000
H5	-0.067	-1.615	0.828
H6	-0.067	-1.615	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.1846	2.5437	1.0572	3.0671	3.0671
C2	1.1846		1.3591	2.2417	1.9677	1.9677
N3	2.5437	1.3591		3.6008	0.9967	0.9967
H4	1.0572	2.2417	3.6008		4.0861	4.0861
H5	3.0671	1.9677	0.9967	4.0861		1.6561
H6	3.0671	1.9677	0.9967	4.0861	1.6561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.207	C2	C1	H4	178.668
C2	N3	H5	112.374	C2	N3	H6	112.374
H5	N3	H6	112.367

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)