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	hartrees
Energy at 0K	-187.586878
Energy at 298.15K	-187.590593
HF Energy	-186.904547
Nuclear repulsion energy	100.475486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3605	3516
2	A	3507	3420
3	A	2313	2255
4	A	1638	1597
5	A	1200	1171
6	A	798	778
7	A	636	620
8	A	337	329
9	A	325	317
10	A	157	153
11	B	3605	3516
12	B	3509	3422
13	B	1637	1597
14	B	1327	1294
15	B	1200	1170
16	B	693	676
17	B	329	321
18	B	160	156

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	0.615	-0.003
C2	-0.041	-0.615	-0.003
N3	0.041	1.992	-0.060
N4	-0.041	-1.992	-0.060
H5	-0.243	2.433	0.813
H6	0.927	2.381	-0.378
H7	0.243	-2.433	0.813
H8	-0.927	-2.381	-0.378

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2332	1.3778	2.6090	2.0123	2.0108	3.1615	3.1712
C2	1.2332		2.6090	1.3778	3.1615	3.1712	2.0123	2.0108
N3	1.3778	2.6090		3.9846	1.0184	1.0185	4.5142	4.4902
N4	2.6090	1.3778	3.9846		4.5142	4.4902	1.0184	1.0185
H5	2.0123	3.1615	1.0184	4.5142		1.6704	4.8894	5.0057
H6	2.0108	3.1712	1.0185	4.4902	1.6704		5.0057	5.1105
H7	3.1615	2.0123	4.5142	1.0184	4.8894	5.0057		1.6704
H8	3.1712	2.0108	4.4902	1.0185	5.0057	5.1105	1.6704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.477	C1	N3	H5	113.384
C1	N3	H6	113.250	C2	C1	N3	175.477
C2	N4	H7	113.384	C2	N4	H8	113.250
H5	N3	H6	110.191	H7	N4	H8	110.191

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)