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	hartrees
Energy at 0K	-187.501741
Energy at 298.15K	-187.505832
HF Energy	-186.892733
Nuclear repulsion energy	100.889247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3466	14.13
2	A	3571	3385	3.32
3	A	2439	2312	0.02
4	A	1665	1578	12.55
5	A	1244	1179	0.50
6	A	835	791	22.19
7	A	733	695	66.26
8	A	387	367	1.34
9	A	314	298	37.23
10	A	214	203	14.46
11	B	3656	3466	13.46
12	B	3572	3386	7.52
13	B	1664	1577	20.49
14	B	1347	1277	78.09
15	B	1244	1179	0.46
16	B	801	759	327.68
17	B	389	369	16.40
18	B	215	204	17.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.611	0.043
C2	-0.005	-0.611	0.043
N3	-0.005	1.975	-0.084
N4	0.005	-1.975	-0.084
H5	-0.308	2.460	0.754
H6	0.872	2.358	-0.424
H7	0.308	-2.460	0.754
H8	-0.872	-2.358	-0.424

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2224	1.3698	2.5893	2.0052	2.0054	3.1667	3.1310
C2	1.2224		2.5893	1.3698	3.1667	3.1310	2.0052	2.0054
N3	1.3698	2.5893		3.9499	1.0150	1.0152	4.5241	4.4320
N4	2.5893	1.3698	3.9499		4.5241	4.4320	1.0150	1.0152
H5	2.0052	3.1667	1.0150	4.5241		1.6706	4.9578	4.9918
H6	2.0054	3.1310	1.0152	4.4320	1.6706		4.9918	5.0282
H7	3.1667	2.0052	4.5241	1.0150	4.9578	4.9918		1.6706
H8	3.1310	2.0054	4.4320	1.0152	4.9918	5.0282	1.6706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.594	C1	N3	H5	113.623
C1	N3	H6	113.630	C2	C1	N3	174.594
C2	N4	H7	113.623	C2	N4	H8	113.630
H5	N3	H6	110.744	H7	N4	H8	110.744

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)