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	hartrees
Energy at 0K	-132.297456
Energy at 298.15K	-132.299506
HF Energy	-131.853721
Nuclear repulsion energy	59.097886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3624	3398	11.56
2	A'	3551	3330	66.20
3	A'	2292	2149	57.15
4	A'	1697	1592	28.66
5	A'	1077	1010	8.23
6	A'	752	706	243.64
7	A'	504	473	69.16
8	A'	346	324	15.71
9	A"	3722	3490	19.11
10	A"	1246	1168	0.05
11	A"	625	586	36.75
12	A"	327	306	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.016	1.374	0.000
C2	0.000	0.164	0.000
N3	0.084	-1.205	0.000
H4	-0.028	2.435	0.000
H5	-0.328	-1.614	0.827
H6	-0.328	-1.614	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.2100	2.5806	1.0614	3.1199	3.1199
C2	1.2100		1.3723	2.2706	1.9887	1.9887
N3	2.5806	1.3723		3.6419	1.0100	1.0100
H4	1.0614	2.2706	3.6419		4.1436	4.1436
H5	3.1199	1.9887	1.0100	4.1436		1.6531
H6	3.1199	1.9887	1.0100	4.1436	1.6531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.739	C2	C1	H4	176.903
C2	N3	H5	112.289	C2	N3	H6	112.289
H5	N3	H6	109.834

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)