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	hartrees
Energy at 0K	-187.553121
Energy at 298.15K	-187.557054
HF Energy	-186.907331
Nuclear repulsion energy	101.038627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3674	3674	26.19
2	A	3581	3581	1.17
3	A	2419	2419	0.07
4	A	1662	1662	10.25
5	A	1220	1220	0.82
6	A	820	820	6.23
7	A	628	628	99.32
8	A	377	377	2.25
9	A	339	339	30.15
10	A	192	192	16.07
11	B	3674	3674	25.21
12	B	3582	3582	14.45
13	B	1663	1663	29.75
14	B	1348	1348	107.44
15	B	1219	1219	0.79
16	B	682	682	278.71
17	B	375	375	16.12
18	B	194	194	18.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.611	0.039
C2	-0.005	-0.611	0.039
N3	-0.005	1.976	-0.077
N4	0.005	-1.976	-0.077
H5	-0.333	2.471	0.744
H6	0.849	2.380	-0.441
H7	0.333	-2.471	0.744
H8	-0.849	-2.380	-0.441

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2218	1.3704	2.5898	2.0175	2.0178	3.1780	3.1473
C2	1.2218		2.5898	1.3704	3.1780	3.1473	2.0175	2.0178
N3	1.3704	2.5898		3.9528	1.0124	1.0125	4.5347	4.4523
N4	2.5898	1.3704	3.9528		4.5347	4.4523	1.0124	1.0125
H5	2.0175	3.1780	1.0124	4.5347		1.6761	4.9860	5.0198
H6	2.0178	3.1473	1.0125	4.4523	1.6761		5.0198	5.0538
H7	3.1780	2.0175	4.5347	1.0124	4.9860	5.0198		1.6761
H8	3.1473	2.0178	4.4523	1.0125	5.0198	5.0538	1.6761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.077	C1	N3	H5	114.881
C1	N3	H6	114.899	C2	C1	N3	175.077
C2	N4	H7	114.881	C2	N4	H8	114.899
H5	N3	H6	111.740	H7	N4	H8	111.740

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3=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 NH2CCNH2 (Diaminoacetylene)

using model chemistry: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)