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	hartrees
Energy at 0K	-187.491435
Energy at 298.15K	-187.495434
HF Energy	-186.891417
Nuclear repulsion energy	100.770671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3460	17.70
2	A	3542	3366	3.48
3	A	2379	2261	0.15
4	A	1645	1563	12.48
5	A	1228	1167	0.20
6	A	827	786	24.33
7	A	729	693	64.70
8	A	361	343	1.63
9	A	306	291	38.50
10	A	207	197	13.61
11	B	3640	3460	16.85
12	B	3545	3369	9.04
13	B	1644	1562	19.15
14	B	1357	1290	78.45
15	B	1228	1167	0.17
16	B	794	755	327.43
17	B	362	344	15.32
18	B	208	198	17.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.615	0.046
C2	-0.005	-0.615	0.046
N3	-0.005	1.975	-0.086
N4	0.005	-1.975	-0.086
H5	-0.307	2.463	0.752
H6	0.873	2.358	-0.426
H7	0.307	-2.463	0.752
H8	-0.873	-2.358	-0.426

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2305	1.3663	2.5938	2.0026	2.0031	3.1728	3.1355
C2	1.2305		2.5938	1.3663	3.1728	3.1355	2.0026	2.0031
N3	1.3663	2.5938		3.9504	1.0157	1.0159	4.5274	4.4321
N4	2.5938	1.3663	3.9504		4.5274	4.4321	1.0157	1.0159
H5	2.0026	3.1728	1.0157	4.5274		1.6706	4.9642	4.9950
H6	2.0031	3.1355	1.0159	4.4321	1.6706		4.9950	5.0281
H7	3.1728	2.0026	4.5274	1.0157	4.9642	4.9950		1.6706
H8	3.1355	2.0031	4.4321	1.0159	4.9950	5.0281	1.6706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.409	C1	N3	H5	113.621
C1	N3	H6	113.647	C2	C1	N3	174.409
C2	N4	H7	113.621	C2	N4	H8	113.647
H5	N3	H6	110.635	H7	N4	H8	110.635

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)