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	hartrees
Energy at 0K	-132.318512
Energy at 298.15K	-132.320443
HF Energy	-131.867329
Nuclear repulsion energy	58.671630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3438	17.84
2	A'	3506	3398	84.90
3	A'	2184	2116	102.54
4	A'	1626	1576	23.76
5	A'	1062	1029	13.00
6	A'	671	650	177.73
7	A'	481	466	91.19
8	A'	317	307	9.48
9	A"	3653	3541	40.63
10	A"	1201	1164	0.85
11	A"	584	566	47.33
12	A"	309	300	2.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	1.388	0.000
C2	0.000	0.157	0.000
N3	0.093	-1.208	0.000
H4	-0.020	2.459	0.000
H5	-0.300	-1.635	0.835
H6	-0.300	-1.635	-0.835

	C1	C2	N3	H4	H5	H6
C1		1.2313	2.5983	1.0715	3.1500	3.1500
C2	1.2313		1.3683	2.3027	1.9993	1.9993
N3	2.5983	1.3683		3.6695	1.0164	1.0164
H4	1.0715	2.3027	3.6695		4.1880	4.1880
H5	3.1500	1.9993	1.0164	4.1880		1.6691
H6	3.1500	1.9993	1.0164	4.1880	1.6691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.351	C2	C1	H4	179.475
C2	N3	H5	113.112	C2	N3	H6	113.112
H5	N3	H6	110.399

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)