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	hartrees
Energy at 0K	-132.526547
Energy at 298.15K	-132.528678
HF Energy	-131.900240
Nuclear repulsion energy	59.295997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3564	3564
2	A'	3479	3479
3	A'	2204	2204
4	A'	1651	1651
5	A'	1065	1065
6	A'	675	675
7	A'	503	503
8	A'	406	406
9	A"	3657	3657
10	A"	1210	1210
11	A"	668	668
12	A"	347	347

Atom	x (Å)	y (Å)	z (Å)
C1	-0.034	1.370	0.000
C2	0.000	0.161	0.000
N3	0.113	-1.194	0.000
H4	-0.064	2.431	0.000
H5	-0.261	-1.628	0.832
H6	-0.261	-1.628	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2092	2.5683	1.0620	3.1194	3.1194
C2	1.2092		1.3601	2.2711	1.9902	1.9902
N3	2.5683	1.3601		3.6299	1.0096	1.0096
H4	1.0620	2.2711	3.6299		4.1485	4.1485
H5	3.1194	1.9902	1.0096	4.1485		1.6633
H6	3.1194	1.9902	1.0096	4.1485	1.6633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.862	C2	C1	H4	179.965
C2	N3	H5	113.428	C2	N3	H6	113.428
H5	N3	H6	110.924

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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(T)=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)