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	hartrees
Energy at 0K	-132.337874
Energy at 298.15K	-132.339881
HF Energy	-131.868274
Nuclear repulsion energy	58.711033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3546	12.95
2	A'	3484	3484	76.43
3	A'	2225	2225	91.69
4	A'	1646	1646	22.96
5	A'	1057	1057	11.79
6	A'	696	696	175.53
7	A'	485	485	90.18
8	A'	345	345	10.27
9	A"	3640	3640	29.24
10	A"	1218	1218	1.33
11	A"	621	621	42.21
12	A"	315	315	3.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.028	1.384	0.000
C2	0.000	0.161	0.000
N3	0.114	-1.208	0.000
H4	-0.064	2.457	0.000
H5	-0.282	-1.635	0.833
H6	-0.282	-1.635	-0.833

	C1	C2	N3	H4	H5	H6
C1		1.2232	2.5965	1.0731	3.1424	3.1424
C2	1.2232		1.3745	2.2962	2.0002	2.0002
N3	2.5965	1.3745		3.6694	1.0164	1.0164
H4	1.0731	2.2962	3.6694		4.1815	4.1815
H5	3.1424	2.0002	1.0164	4.1815		1.6670
H6	3.1424	2.0002	1.0164	4.1815	1.6670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.575	C2	C1	H4	179.426
C2	N3	H5	112.715	C2	N3	H6	112.715
H5	N3	H6	110.181

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)