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	hartrees
Energy at 0K	-131.424536
Energy at 298.15K	-131.426432
HF Energy	-131.120998
Nuclear repulsion energy	58.994832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3415	32.07
2	A'	3457	3322	60.65
3	A'	2229	2143	74.54
4	A'	1730	1663	46.37
5	A'	1080	1038	19.17
6	A'	516	496	41.36
7	A'	477	459	60.86
8	A'	210	202	435.77
9	A"	3658	3515	31.95
10	A"	1206	1159	5.31
11	A"	762	732	33.69
12	A"	433	416	11.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.051	1.382	0.000
C2	0.000	0.164	0.000
N3	0.071	-1.189	0.000
H4	-0.089	2.448	0.000
H5	-0.051	-1.702	0.864
H6	-0.051	-1.702	-0.864

	C1	C2	N3	H4	H5	H6
C1		1.2193	2.5739	1.0660	3.2029	3.2029
C2	1.2193		1.3546	2.2853	2.0569	2.0569
N3	2.5739	1.3546		3.6399	1.0124	1.0124
H4	1.0660	2.2853	3.6399		4.2387	4.2387
H5	3.2029	2.0569	1.0124	4.2387		1.7284
H6	3.2029	2.0569	1.0124	4.2387	1.7284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.396	C2	C1	H4	179.640
C2	N3	H5	119.991	C2	N3	H6	119.991
H5	N3	H6	117.220

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)