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	hartrees
Energy at 0K	-187.851593
Energy at 298.15K
HF Energy	-187.649948
Nuclear repulsion energy	101.674181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3668	14.60
2	A	3571	3571	2.54
3	A	2385	2385	0.16
4	A	1678	1678	11.06
5	A	1214	1214	0.09
6	A	829	829	4.16
7	A	603	603	144.57
8	A	393	393	0.25
9	A	383	383	31.11
10	A	192	192	16.71
11	B	3667	3667	13.96
12	B	3574	3574	5.73
13	B	1678	1678	24.20
14	B	1383	1383	89.17
15	B	1214	1214	0.11
16	B	658	658	374.70
17	B	386	386	17.90
18	B	191	191	17.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.608	0.035
C2	-0.006	-0.608	0.035
N3	-0.006	1.964	-0.074
N4	0.006	-1.964	-0.074
H5	-0.334	2.455	0.745
H6	0.846	2.369	-0.436
H7	0.334	-2.455	0.745
H8	-0.846	-2.369	-0.436

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2159	1.3601	2.5739	2.0077	2.0077	3.1614	3.1324
C2	1.2159		2.5739	1.3601	3.1614	3.1324	2.0077	2.0077
N3	1.3601	2.5739		3.9272	1.0099	1.0101	4.5070	4.4285
N4	2.5739	1.3601	3.9272		4.5070	4.4285	1.0099	1.0101
H5	2.0077	3.1614	1.0099	4.5070		1.6710	4.9558	4.9934
H6	2.0077	3.1324	1.0101	4.4285	1.6710		4.9934	5.0318
H7	3.1614	2.0077	4.5070	1.0099	4.9558	4.9934		1.6710
H8	3.1324	2.0077	4.4285	1.0101	4.9934	5.0318	1.6710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.273	C1	N3	H5	114.999
C1	N3	H6	114.986	C2	C1	N3	175.273
C2	N4	H7	114.999	C2	N4	H8	114.986
H5	N3	H6	111.621	H7	N4	H8	111.621

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULLultrafine/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 NH2CCNH2 (Diaminoacetylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)