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	hartrees
Energy at 0K	-187.897708
Energy at 298.15K
HF Energy	-187.662526
Nuclear repulsion energy	102.089847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3651	18.89
2	A	3564	3564	2.79
3	A	2394	2394	0.12
4	A	1667	1667	9.33
5	A	1211	1211	0.00
6	A	829	829	5.63
7	A	606	606	112.47
8	A	468	468	8.33
9	A	383	383	22.12
10	A	228	228	18.92
11	B	3651	3651	18.06
12	B	3567	3567	8.99
13	B	1666	1666	19.84
14	B	1377	1377	92.07
15	B	1212	1212	0.06
16	B	663	663	317.43
17	B	474	474	25.44
18	B	229	229	21.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.604	0.053
C2	-0.001	-0.604	0.053
N3	-0.001	1.951	-0.085
N4	0.001	-1.951	-0.085
H5	-0.326	2.461	0.722
H6	0.856	2.343	-0.446
H7	0.326	-2.461	0.722
H8	-0.856	-2.343	-0.446

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2079	1.3545	2.5591	2.0004	2.0009	3.1536	3.1090
C2	1.2079		2.5591	1.3545	3.1536	3.1090	2.0004	2.0009
N3	1.3545	2.5591		3.9027	1.0085	1.0087	4.4972	4.3931
N4	2.5591	1.3545	3.9027		4.4972	4.3931	1.0085	1.0087
H5	2.0004	3.1536	1.0085	4.4972		1.6659	4.9642	4.9717
H6	2.0009	3.1090	1.0087	4.3931	1.6659		4.9717	4.9882
H7	3.1536	2.0004	4.4972	1.0085	4.9642	4.9717		1.6659
H8	3.1090	2.0009	4.3931	1.0087	4.9717	4.9882	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.126	C1	N3	H5	114.889
C1	N3	H6	114.917	C2	C1	N3	174.126
C2	N4	H7	114.889	C2	N4	H8	114.917
H5	N3	H6	111.352	H7	N4	H8	111.352

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)