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	hartrees
Energy at 0K	-132.352348
Energy at 298.15K	-132.354524
HF Energy	-131.885207
Nuclear repulsion energy	59.113418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3573	3409	11.90
2	A'	3504	3343	72.59
3	A'	2235	2133	72.12
4	A'	1660	1583	27.88
5	A'	1063	1014	8.69
6	A'	756	721	217.66
7	A'	525	501	85.45
8	A'	392	374	7.81
9	A"	3662	3494	20.95
10	A"	1234	1177	0.43
11	A"	684	653	35.80
12	A"	346	330	4.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.049	1.372	0.000
C2	0.000	0.163	0.000
N3	0.133	-1.200	0.000
H4	-0.104	2.435	0.000
H5	-0.266	-1.621	0.830
H6	-0.266	-1.621	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2104	2.5790	1.0641	3.1139	3.1139
C2	1.2104		1.3696	2.2745	1.9854	1.9854
N3	2.5790	1.3696		3.6429	1.0120	1.0120
H4	1.0641	2.2745	3.6429		4.1432	4.1432
H5	3.1139	1.9854	1.0120	4.1432		1.6590
H6	3.1139	1.9854	1.0120	4.1432	1.6590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.744	C2	C1	H4	179.289
C2	N3	H5	112.072	C2	N3	H6	112.072
H5	N3	H6	110.101

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)