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	hartrees
Energy at 0K	-187.535047
Energy at 298.15K	-187.538865
HF Energy	-186.905694
Nuclear repulsion energy	100.826322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3536	31.26
2	A	3543	3434	1.14
3	A	2362	2289	0.18
4	A	1637	1587	9.85
5	A	1200	1164	0.44
6	A	809	784	6.79
7	A	624	605	99.36
8	A	349	338	1.35
9	A	325	315	32.10
10	A	183	177	14.47
11	B	3648	3536	30.24
12	B	3546	3436	14.18
13	B	1638	1587	26.82
14	B	1354	1312	107.52
15	B	1200	1163	0.43
16	B	674	653	270.69
17	B	345	334	14.87
18	B	185	180	17.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.615	0.038
C2	-0.006	-0.615	0.038
N3	-0.006	1.979	-0.076
N4	0.006	-1.979	-0.076
H5	-0.332	2.474	0.746
H6	0.849	2.385	-0.441
H7	0.332	-2.474	0.746
H8	-0.849	-2.385	-0.441

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2310	1.3679	2.5966	2.0173	2.0178	3.1863	3.1561
C2	1.2310		2.5966	1.3679	3.1863	3.1561	2.0173	2.0178
N3	1.3679	2.5966		3.9572	1.0143	1.0144	4.5404	4.4589
N4	2.5966	1.3679	3.9572		4.5404	4.4589	1.0143	1.0144
H5	2.0173	3.1863	1.0143	4.5404		1.6778	4.9922	5.0281
H6	2.0178	3.1561	1.0144	4.4589	1.6778		5.0281	5.0626
H7	3.1863	2.0173	4.5404	1.0143	4.9922	5.0281		1.6778
H8	3.1561	2.0178	4.4589	1.0144	5.0281	5.0626	1.6778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.104	C1	N3	H5	114.924
C1	N3	H6	114.959	C2	C1	N3	175.104
C2	N4	H7	114.924	C2	N4	H8	114.959
H5	N3	H6	111.586	H7	N4	H8	111.586

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)