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	hartrees
Energy at 0K	-132.229205
Energy at 298.15K	-132.231312
HF Energy	-131.844636
Nuclear repulsion energy	59.323515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3630	3360	16.47
2	A'	3582	3316	74.44
3	A'	2339	2165	66.65
4	A'	1736	1607	35.10
5	A'	1102	1020	9.49
6	A'	751	696	264.19
7	A'	513	475	84.08
8	A'	355	329	21.91
9	A"	3723	3446	26.78
10	A"	1270	1176	0.00
11	A"	660	611	40.91
12	A"	349	323	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.042	1.367	0.000
C2	0.000	0.165	0.000
N3	0.126	-1.195	0.000
H4	-0.114	2.426	0.000
H5	-0.257	-1.626	0.829
H6	-0.257	-1.626	-0.829

	C1	C2	N3	H4	H5	H6
C1		1.2027	2.5674	1.0620	3.1132	3.1132
C2	1.2027		1.3657	2.2643	1.9903	1.9903
N3	2.5674	1.3657		3.6293	1.0100	1.0100
H4	1.0620	2.2643	3.6293		4.1389	4.1389
H5	3.1132	1.9903	1.0100	4.1389		1.6583
H6	3.1132	1.9903	1.0100	4.1389	1.6583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.713	C2	C1	H4	178.089
C2	N3	H5	112.960	C2	N3	H6	112.960
H5	N3	H6	110.362

All results from a given calculation for HCCNH₂ (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)