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	hartrees
Energy at 0K	-132.331054
Energy at 298.15K	-132.333008
HF Energy	-131.867917
Nuclear repulsion energy	58.635810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3428	12.31
2	A'	3476	3367	76.15
3	A'	2213	2144	90.71
4	A'	1644	1592	22.45
5	A'	1052	1019	11.17
6	A'	700	678	174.60
7	A'	475	460	86.15
8	A'	322	312	12.87
9	A"	3633	3519	28.29
10	A"	1217	1179	1.41
11	A"	607	588	42.48
12	A"	305	296	3.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.386	0.000
C2	0.000	0.161	0.000
N3	0.111	-1.211	0.000
H4	-0.056	2.460	0.000
H5	-0.288	-1.635	0.834
H6	-0.288	-1.635	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2249	2.6002	1.0740	3.1453	3.1453
C2	1.2249		1.3766	2.2988	2.0016	2.0016
N3	2.6002	1.3766		3.6741	1.0173	1.0173
H4	1.0740	2.2988	3.6741		4.1852	4.1852
H5	3.1453	2.0016	1.0173	4.1852		1.6675
H6	3.1453	2.0016	1.0173	4.1852	1.6675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.495	C2	C1	H4	179.381
C2	N3	H5	112.601	C2	N3	H6	112.601
H5	N3	H6	110.083

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)