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	hartrees
Energy at 0K	-187.818273
Energy at 298.15K	-187.822215
HF Energy	-186.953895
Nuclear repulsion energy	101.840015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3633	3522
2	A	3550	3441
3	A	2348	2276
4	A	1659	1608
5	A	1202	1165
6	A	810	785
7	A	606	588
8	A	390	378
9	A	342	332
10	A	199	193
11	B	3633	3522
12	B	3551	3442
13	B	1662	1611
14	B	1350	1309
15	B	1200	1163
16	B	657	637
17	B	388	376
18	B	193	188

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.606	0.002
C2	-0.010	-0.606	0.002
N3	-0.010	1.963	-0.058
N4	0.010	-1.963	-0.058
H5	-0.317	2.411	0.791
H6	0.848	2.372	-0.395
H7	0.317	-2.411	0.791
H8	-0.848	-2.372	-0.395

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2119	1.3590	2.5699	1.9972	1.9950	3.1335	3.1244
C2	1.2119		2.5699	1.3590	3.1335	3.1244	1.9972	1.9950
N3	1.3590	2.5699		3.9268	1.0082	1.0084	4.4680	4.4286
N4	2.5699	1.3590	3.9268		4.4680	4.4286	1.0082	1.0084
H5	1.9972	3.1335	1.0082	4.4680		1.6638	4.8635	4.9565
H6	1.9950	3.1244	1.0084	4.4286	1.6638		4.9565	5.0383
H7	3.1335	1.9972	4.4680	1.0082	4.8635	4.9565		1.6638
H8	3.1244	1.9950	4.4286	1.0084	4.9565	5.0383	1.6638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	176.931	C1	N3	H5	114.245
C1	N3	H6	114.043	C2	C1	N3	176.931
C2	N4	H7	114.245	C2	N4	H8	114.043
H5	N3	H6	111.180	H7	N4	H8	111.180

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)