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	hartrees
Energy at 0K	-132.346804
Energy at 298.15K	-132.349033
HF Energy	-131.885635
Nuclear repulsion energy	59.197691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3586	3425	12.82
2	A'	3514	3356	74.54
3	A'	2266	2164	73.47
4	A'	1664	1589	29.15
5	A'	1069	1021	9.64
6	A'	761	727	219.95
7	A'	548	523	84.23
8	A'	409	391	8.30
9	A"	3675	3510	22.14
10	A"	1238	1183	0.37
11	A"	695	663	37.03
12	A"	356	340	4.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.051	1.369	0.000
C2	0.000	0.164	0.000
N3	0.134	-1.199	0.000
H4	-0.108	2.432	0.000
H5	-0.264	-1.620	0.829
H6	-0.264	-1.620	-0.829

	C1	C2	N3	H4	H5	H6
C1		1.2069	2.5747	1.0637	3.1093	3.1093
C2	1.2069		1.3689	2.2705	1.9842	1.9842
N3	2.5747	1.3689		3.6383	1.0114	1.0114
H4	1.0637	2.2705	3.6383		4.1382	4.1382
H5	3.1093	1.9842	1.0114	4.1382		1.6577
H6	3.1093	1.9842	1.0114	4.1382	1.6577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.776	C2	C1	H4	179.302
C2	N3	H5	112.069	C2	N3	H6	112.069
H5	N3	H6	110.071

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)