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	hartrees
Energy at 0K	-132.399197
Energy at 298.15K	-132.401582
HF Energy	-131.866006
Nuclear repulsion energy	59.525070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3611	3400	17.35
2	A'	3562	3354	82.11
3	A'	2291	2157	64.37
4	A'	1681	1583	26.20
5	A'	1083	1020	9.46
6	A'	725	683	209.56
7	A'	581	547	64.76
8	A'	489	461	31.51
9	A"	3701	3485	30.18
10	A"	1240	1167	0.06
11	A"	754	710	32.48
12	A"	415	390	6.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.100	1.360	0.000
C2	0.000	0.162	0.000
N3	0.170	-1.184	0.000
H4	-0.182	2.415	0.000
H5	-0.203	-1.627	0.826
H6	-0.203	-1.627	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2015	2.5583	1.0586	3.1001	3.1001
C2	1.2015		1.3573	2.2600	1.9808	1.9808
N3	2.5583	1.3573		3.6165	1.0083	1.0083
H4	1.0586	2.2600	3.6165		4.1252	4.1252
H5	3.1001	1.9808	1.0083	4.1252		1.6514
H6	3.1001	1.9808	1.0083	4.1252	1.6514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.582	C2	C1	H4	179.703
C2	N3	H5	112.886	C2	N3	H6	112.886
H5	N3	H6	109.948

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)