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	hartrees
Energy at 0K	-132.434239
Energy at 298.15K	-132.436443
HF Energy	-131.901807
Nuclear repulsion energy	59.348032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3417	17.22
2	A'	3503	3347	80.28
3	A'	2245	2145	84.90
4	A'	1667	1592	25.12
5	A'	1069	1022	10.89
6	A'	716	685	196.71
7	A'	519	496	92.51
8	A'	421	402	8.13
9	A"	3665	3501	30.47
10	A"	1234	1179	0.59
11	A"	683	652	38.34
12	A"	361	344	5.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	1.367	0.000
C2	0.000	0.163	0.000
N3	0.123	-1.195	0.000
H4	-0.086	2.426	0.000
H5	-0.266	-1.620	0.827
H6	-0.266	-1.620	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.2052	2.5680	1.0599	3.1080	3.1080
C2	1.2052		1.3638	2.2650	1.9834	1.9834
N3	2.5680	1.3638		3.6276	1.0079	1.0079
H4	1.0599	2.2650	3.6276		4.1340	4.1340
H5	3.1080	1.9834	1.0079	4.1340		1.6540
H6	3.1080	1.9834	1.0079	4.1340	1.6540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.758	C2	C1	H4	179.514
C2	N3	H5	112.631	C2	N3	H6	112.631
H5	N3	H6	110.265

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)