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	hartrees
Energy at 0K	-187.575081
Energy at 298.15K	-187.578762
HF Energy	-186.904562
Nuclear repulsion energy	100.402104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3598	3518
2	A	3504	3426
3	A	2324	2272
4	A	1638	1602
5	A	1203	1176
6	A	797	780
7	A	640	626
8	A	336	329
9	A	321	314
10	A	148	145
11	B	3598	3518
12	B	3505	3428
13	B	1638	1602
14	B	1318	1289
15	B	1202	1175
16	B	700	684
17	B	328	320
18	B	149	145

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.614	-0.005
C2	-0.045	-0.614	-0.005
N3	0.045	1.994	-0.059
N4	-0.045	-1.994	-0.059
H5	-0.238	2.430	0.818
H6	0.933	2.381	-0.374
H7	0.238	-2.430	0.818
H8	-0.933	-2.381	-0.374

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2312	1.3809	2.6099	2.0135	2.0122	3.1591	3.1723
C2	1.2312		2.6099	1.3809	3.1591	3.1723	2.0135	2.0122
N3	1.3809	2.6099		3.9887	1.0190	1.0191	4.5141	4.4941
N4	2.6099	1.3809	3.9887		4.5141	4.4941	1.0190	1.0191
H5	2.0135	3.1591	1.0190	4.5141		1.6708	4.8832	5.0051
H6	2.0122	3.1723	1.0191	4.4941	1.6708		5.0051	5.1152
H7	3.1591	2.0135	4.5141	1.0190	4.8832	5.0051		1.6708
H8	3.1723	2.0122	4.4941	1.0191	5.0051	5.1152	1.6708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.285	C1	N3	H5	113.203
C1	N3	H6	113.079	C2	C1	N3	175.285
C2	N4	H7	113.203	C2	N4	H8	113.079
H5	N3	H6	110.130	H7	N4	H8	110.130

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)