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	hartrees
Energy at 0K	-132.494816
Energy at 298.15K	-132.497072
HF Energy	-131.907413
Nuclear repulsion energy	59.487696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3586	3586	19.92
2	A'	3509	3509	80.95
3	A'	2255	2255	92.05
4	A'	1671	1671	26.21
5	A'	1072	1072	12.47
6	A'	701	701	198.47
7	A'	560	560	93.11
8	A'	438	438	15.41
9	A"	3674	3674	34.89
10	A"	1234	1234	0.46
11	A"	725	725	40.36
12	A"	365	365	7.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.052	1.364	0.000
C2	0.000	0.163	0.000
N3	0.130	-1.191	0.000
H4	-0.105	2.420	0.000
H5	-0.247	-1.622	0.827
H6	-0.247	-1.622	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.2020	2.5611	1.0578	3.1044	3.1044
C2	1.2020		1.3601	2.2598	1.9827	1.9827
N3	2.5611	1.3601		3.6188	1.0060	1.0060
H4	1.0578	2.2598	3.6188		4.1285	4.1285
H5	3.1044	1.9827	1.0060	4.1285		1.6542
H6	3.1044	1.9827	1.0060	4.1285	1.6542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.993	C2	C1	H4	179.630
C2	N3	H5	113.004	C2	N3	H6	113.004
H5	N3	H6	110.603

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD=FULL/Def2TZVPP

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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)