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	hartrees
Energy at 0K	-187.465210
Energy at 298.15K	-187.469126
HF Energy	-186.867798
Nuclear repulsion energy	101.135534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3421	12.12
2	A	3532	3335	2.66
3	A	2415	2280	0.00
4	A	1713	1617	16.63
5	A	1246	1177
6	A	830	784	18.95
7	A	702	663	107.66
8	A	384	362	0.00
9	A	331	313	43.69
10	A	199	188	11.34
11	B	3622	3420	11.09
12	B	3534	3337	6.99
13	B	1712	1617	32.80
14	B	1358	1282	63.23
15	B	1245	1176	0.36
16	B	762	719	409.22
17	B	337	318	18.56
18	B	177	167	11.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	0.608	0.030
C2	-0.008	-0.608	0.030
N3	-0.008	1.973	-0.073
N4	0.008	-1.973	-0.073
H5	-0.326	2.454	0.760
H6	0.853	2.378	-0.426
H7	0.326	-2.454	0.760
H8	-0.853	-2.378	-0.426

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2152	1.3691	2.5822	2.0140	2.0138	3.1639	3.1403
C2	1.2152		2.5822	1.3691	3.1639	3.1403	2.0140	2.0138
N3	1.3691	2.5822		3.9453	1.0142	1.0144	4.5172	4.4459
N4	2.5822	1.3691	3.9453		4.5172	4.4459	1.0142	1.0144
H5	2.0140	3.1639	1.0142	4.5172		1.6741	4.9519	5.0035
H6	2.0138	3.1403	1.0144	4.4459	1.6741		5.0035	5.0525
H7	3.1639	2.0140	4.5172	1.0142	4.9519	5.0035		1.6741
H8	3.1403	2.0138	4.4459	1.0144	5.0035	5.0525	1.6741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.454	C1	N3	H5	114.537
C1	N3	H6	114.510	C2	C1	N3	175.454
C2	N4	H7	114.537	C2	N4	H8	114.510
H5	N3	H6	111.229	H7	N4	H8	111.229

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)