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	hartrees
Energy at 0K	-186.895803
Energy at 298.15K	-186.900162
HF Energy	-186.895803
Nuclear repulsion energy	102.655657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3901	3527	44.46
2	A	3795	3432	3.36
3	A	2534	2292	0.19
4	A	1795	1623	11.59
5	A	1303	1178	0.08
6	A	872	789	4.11
7	A	613	554	160.09
8	A	498	450	26.46
9	A	400	362	24.22
10	A	244	221	28.99
11	B	3901	3527	43.20
12	B	3796	3432	37.26
13	B	1798	1625	56.44
14	B	1425	1289	123.75
15	B	1303	1178	0.11
16	B	657	594	333.83
17	B	502	454	45.61
18	B	244	221	30.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.595	0.042
C2	-0.001	-0.595	0.042
N3	-0.001	1.947	-0.076
N4	0.001	-1.947	-0.076
H5	-0.342	2.443	0.719
H6	0.837	2.343	-0.442
H7	0.342	-2.443	0.719
H8	-0.837	-2.343	-0.442

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.1908	1.3568	2.5453	1.9970	1.9968	3.1311	3.0937
C2	1.1908		2.5453	1.3568	3.1311	3.0937	1.9970	1.9968
N3	1.3568	2.5453		3.8943	0.9967	0.9969	4.4742	4.3861
N4	2.5453	1.3568	3.8943		4.4742	4.3861	0.9967	0.9969
H5	1.9970	3.1311	0.9967	4.4742		1.6580	4.9327	4.9492
H6	1.9968	3.0937	0.9969	4.3861	1.6580		4.9492	4.9760
H7	3.1311	1.9970	4.4742	0.9967	4.9327	4.9492		1.6580
H8	3.0937	1.9968	4.3861	0.9969	4.9492	4.9760	1.6580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.016	C1	N3	H5	115.247
C1	N3	H6	115.210	C2	C1	N3	175.016
C2	N4	H7	115.247	C2	N4	H8	115.210
H5	N3	H6	112.534	H7	N4	H8	112.534

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: HF/6-31+G**

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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Number	Element	Mulliken
1	C	0.103
2	C	0.103
3	N	-0.731
4	N	-0.731
5	H	0.313
6	H	0.315
7	H	0.313
8	H	0.315

	x	y	z	Total
	0.000	0.000	1.577	1.577
CHELPG
AIM
ESP

	x	y	z
x	3.536	0.108	0.000
y	0.108	8.417	0.000
z	0.000	0.000	3.533

<r²>	96.554
(<r²>)^1/2	9.826

All results from a given calculation for NH2CCNH2 (Diaminoacetylene)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)