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	hartrees
Energy at 0K	-187.381973
Energy at 298.15K	-187.386106
HF Energy	-186.870288
Nuclear repulsion energy	101.939647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3462	21.47
2	A	3656	3377	4.61
3	A	2507	2315	0.03
4	A	1753	1620	16.08
5	A	1274	1177	0.01
6	A	854	789	10.08
7	A	685	633	145.52
8	A	414	383	0.59
9	A	359	332	39.12
10	A	221	204	15.37
11	B	3748	3462	20.44
12	B	3655	3376	16.65
13	B	1754	1620	41.79
14	B	1401	1294	82.07
15	B	1274	1176	0.03
16	B	739	682	421.74
17	B	398	368	19.50
18	B	218	202	16.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.601	0.036
C2	-0.005	-0.601	0.036
N3	-0.005	1.958	-0.076
N4	0.005	-1.958	-0.076
H5	-0.327	2.444	0.745
H6	0.850	2.356	-0.429
H7	0.327	-2.444	0.745
H8	-0.850	-2.356	-0.429

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2025	1.3615	2.5617	2.0024	2.0021	3.1433	3.1133
C2	1.2025		2.5617	1.3615	3.1433	3.1133	2.0024	2.0021
N3	1.3615	2.5617		3.9161	1.0071	1.0073	4.4906	4.4099
N4	2.5617	1.3615	3.9161		4.4906	4.4099	1.0071	1.0073
H5	2.0024	3.1433	1.0071	4.4906		1.6647	4.9322	4.9690
H6	2.0021	3.1133	1.0073	4.4099	1.6647		4.9690	5.0092
H7	3.1433	2.0024	4.4906	1.0071	4.9322	4.9690		1.6647
H8	3.1133	2.0021	4.4099	1.0073	4.9690	5.0092	1.6647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.154	C1	N3	H5	114.597
C1	N3	H6	114.564	C2	C1	N3	175.154
C2	N4	H7	114.597	C2	N4	H8	114.564
H5	N3	H6	111.470	H7	N4	H8	111.470

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)