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	hartrees
Energy at 0K	-187.472788
Energy at 298.15K	-187.476823
HF Energy	-186.869135
Nuclear repulsion energy	101.487127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3666	3440	16.33
2	A	3577	3356	3.54
3	A	2472	2319	0.03
4	A	1721	1615	16.86
5	A	1251	1174	0.01
6	A	839	788	14.02
7	A	692	650	125.17
8	A	391	367	0.02
9	A	339	318	42.41
10	A	212	199	13.12
11	B	3666	3440	15.25
12	B	3578	3358	11.70
13	B	1721	1615	38.23
14	B	1373	1288	74.68
15	B	1250	1173	0.08
16	B	748	702	417.71
17	B	375	352	17.35
18	B	209	196	14.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.604	0.036
C2	-0.006	-0.604	0.036
N3	-0.006	1.966	-0.077
N4	0.006	-1.966	-0.077
H5	-0.326	2.453	0.750
H6	0.854	2.365	-0.431
H7	0.326	-2.453	0.750
H8	-0.854	-2.365	-0.431

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2090	1.3659	2.5726	2.0094	2.0092	3.1562	3.1267
C2	1.2090		2.5726	1.3659	3.1562	3.1267	2.0094	2.0092
N3	1.3659	2.5726		3.9313	1.0119	1.0121	4.5079	4.4271
N4	2.5726	1.3659	3.9313		4.5079	4.4271	1.0119	1.0121
H5	2.0094	3.1562	1.0119	4.5079		1.6717	4.9497	4.9891
H6	2.0092	3.1267	1.0121	4.4271	1.6717		4.9891	5.0290
H7	3.1562	2.0094	4.5079	1.0119	4.9497	4.9891		1.6717
H8	3.1267	2.0092	4.4271	1.0121	4.9891	5.0290	1.6717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.124	C1	N3	H5	114.540
C1	N3	H6	114.503	C2	C1	N3	175.124
C2	N4	H7	114.540	C2	N4	H8	114.503
H5	N3	H6	111.368	H7	N4	H8	111.368

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)