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	hartrees
Energy at 0K	-132.646380
Energy at 298.15K	-132.648527
HF Energy	-132.458020
Nuclear repulsion energy	59.539993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3415	16.31
2	A'	3502	3359	92.39
3	A'	2220	2130	121.21
4	A'	1652	1585	25.63
5	A'	1079	1035	16.31
6	A'	627	601	177.77
7	A'	500	480	110.07
8	A'	421	404	7.26
9	A"	3645	3497	41.94
10	A"	1206	1157	0.40
11	A"	688	660	39.49
12	A"	361	346	8.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.365	0.000
C2	0.000	0.161	0.000
N3	0.099	-1.187	0.000
H4	-0.053	2.422	0.000
H5	-0.249	-1.633	0.834
H6	-0.249	-1.633	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2046	2.5549	1.0572	3.1201	3.1201
C2	1.2046		1.3512	2.2617	1.9937	1.9937
N3	2.5549	1.3512		3.6119	1.0078	1.0078
H4	1.0572	2.2617	3.6119		4.1444	4.1444
H5	3.1201	1.9937	1.0078	4.1444		1.6671
H6	3.1201	1.9937	1.0078	4.1444	1.6671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.926	C2	C1	H4	179.570
C2	N3	H5	114.599	C2	N3	H6	114.599
H5	N3	H6	111.612

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)