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	hartrees
Energy at 0K	-132.306688
Energy at 298.15K	-132.308825
HF Energy	-131.859317
Nuclear repulsion energy	58.611779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3393	9.27
2	A'	3492	3350	73.07
3	A'	2229	2139	63.00
4	A'	1649	1582	20.27
5	A'	1057	1014	6.93
6	A'	794	762	196.15
7	A'	510	490	72.83
8	A'	372	357	8.41
9	A"	3626	3478	18.66
10	A"	1238	1188	0.81
11	A"	660	633	31.94
12	A"	337	324	3.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.072	1.383	0.000
C2	0.000	0.161	0.000
N3	0.160	-1.210	0.000
H4	-0.143	2.456	0.000
H5	-0.273	-1.624	0.827
H6	-0.273	-1.624	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.2240	2.6027	1.0755	3.1248	3.1248
C2	1.2240		1.3797	2.2995	1.9858	1.9858
N3	2.6027	1.3797		3.6780	1.0210	1.0210
H4	1.0755	2.2995	3.6780		4.1648	4.1648
H5	3.1248	1.9858	1.0210	4.1648		1.6534
H6	3.1248	1.9858	1.0210	4.1648	1.6534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.706	C2	C1	H4	179.559
C2	N3	H5	110.732	C2	N3	H6	110.732
H5	N3	H6	108.124

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)