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	hartrees
Energy at 0K	-187.481868
Energy at 298.15K	-187.485854
HF Energy	-186.868315
Nuclear repulsion energy	101.254340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3442	12.42
2	A	3533	3356	2.72
3	A	2424	2302	0.02
4	A	1714	1628	16.38
5	A	1247	1184	0.00
6	A	831	790	18.06
7	A	696	661	115.41
8	A	380	361	0.00
9	A	337	320	42.82
10	A	203	193	12.43
11	B	3623	3441	11.61
12	B	3535	3358	7.12
13	B	1713	1627	33.36
14	B	1362	1294	65.99
15	B	1247	1184	0.05
16	B	756	718	411.44
17	B	364	346	17.68
18	B	200	190	13.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.607	0.032
C2	-0.006	-0.607	0.032
N3	-0.006	1.970	-0.074
N4	0.006	-1.970	-0.074
H5	-0.325	2.455	0.757
H6	0.855	2.373	-0.427
H7	0.325	-2.455	0.757
H8	-0.855	-2.373	-0.427

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2137	1.3674	2.5790	2.0127	2.0124	3.1624	3.1355
C2	1.2137		2.5790	1.3674	3.1624	3.1355	2.0127	2.0124
N3	1.3674	2.5790		3.9400	1.0141	1.0142	4.5144	4.4390
N4	2.5790	1.3674	3.9400		4.5144	4.4390	1.0141	1.0142
H5	2.0127	3.1624	1.0141	4.5144		1.6740	4.9524	4.9991
H6	2.0124	3.1355	1.0142	4.4390	1.6740		4.9991	5.0444
H7	3.1624	2.0127	4.5144	1.0141	4.9524	4.9991		1.6740
H8	3.1355	2.0124	4.4390	1.0142	4.9991	5.0444	1.6740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.392	C1	N3	H5	114.566
C1	N3	H6	114.530	C2	C1	N3	175.392
C2	N4	H7	114.566	C2	N4	H8	114.530
H5	N3	H6	111.242	H7	N4	H8	111.242

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)