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	hartrees
Energy at 0K	-187.718846
Energy at 298.15K
HF Energy	-187.585560
Nuclear repulsion energy	101.492001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3737	3737	19.96
2	A	3622	3622	0.00
3	A	2374	2374	0.00
4	A	1730	1730	0.00
5	A	1198	1198	6.86
6	A	836	836	0.00
7	A	519	519	0.00
8	A	379	379	292.11
9	A	345	345	162.78
10	A	137	137	27.44
11	B	3737	3737	19.98
12	B	3628	3628	16.65
13	B	1736	1736	47.78
14	B	1431	1431	121.20
15	B	1198	1198	6.87
16	B	378	378	292.38
17	B	345	345	162.13
18	B	137	137	27.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.027	0.611	-0.027
C2	-0.027	-0.611	-0.027
N3	0.027	1.982	-0.022
N4	-0.027	-1.982	-0.022
H5	-0.376	2.466	0.771
H6	0.806	2.468	-0.451
H7	0.376	-2.466	0.771
H8	-0.806	-2.468	-0.451

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2225	1.3711	2.5930	2.0600	2.0582	3.1979	3.2176
C2	1.2225		2.5930	1.3711	3.1979	3.2176	2.0600	2.0582
N3	1.3711	2.5930		3.9639	1.0133	1.0134	4.5316	4.5475
N4	2.5930	1.3711	3.9639		4.5316	4.5475	1.0133	1.0134
H5	2.0600	3.1979	1.0133	4.5316		1.7003	4.9893	5.1018
H6	2.0582	3.2176	1.0134	4.5475	1.7003		5.1018	5.1928
H7	3.1979	2.0600	4.5316	1.0133	4.9893	5.1018		1.7003
H8	3.2176	2.0582	4.5475	1.0134	5.1018	5.1928	1.7003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	177.442	C1	N3	H5	118.756
C1	N3	H6	118.576	C2	C1	N3	177.442
C2	N4	H7	118.756	C2	N4	H8	118.576
H5	N3	H6	114.057	H7	N4	H8	114.057

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G

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: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)