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	hartrees
Energy at 0K	-187.986678
Energy at 298.15K	-187.990662
HF Energy	-187.724866
Nuclear repulsion energy	102.167158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3496	30.35
2	A	3557	3413	0.87
3	A	2358	2262	0.24
4	A	1663	1596	7.34
5	A	1202	1153	0.23
6	A	823	789	2.89
7	A	545	522	122.31
8	A	415	398	18.42
9	A	395	379	18.69
10	A	197	189	21.57
11	B	3643	3496	29.61
12	B	3560	3415	9.98
13	B	1664	1596	26.02
14	B	1369	1313	128.56
15	B	1202	1153	0.25
16	B	596	572	267.50
17	B	415	398	8.40
18	B	197	189	23.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.603	0.054
C2	-0.002	-0.603	0.054
N3	-0.002	1.952	-0.083
N4	0.002	-1.952	-0.083
H5	-0.342	2.465	0.714
H6	0.844	2.350	-0.457
H7	0.342	-2.465	0.714
H8	-0.844	-2.350	-0.457

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2061	1.3557	2.5585	2.0053	2.0055	3.1567	3.1140
C2	1.2061		2.5585	1.3557	3.1567	3.1140	2.0053	2.0055
N3	1.3557	2.5585		3.9035	1.0071	1.0073	4.5014	4.3992
N4	2.5585	1.3557	3.9035		4.5014	4.3992	1.0071	1.0073
H5	2.0053	3.1567	1.0071	4.5014		1.6709	4.9774	4.9809
H6	2.0055	3.1140	1.0073	4.3992	1.6709		4.9809	4.9937
H7	3.1567	2.0053	4.5014	1.0071	4.9774	4.9809		1.6709
H8	3.1140	2.0055	4.3992	1.0073	4.9809	4.9937	1.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.189	C1	N3	H5	115.351
C1	N3	H6	115.354	C2	C1	N3	174.189
C2	N4	H7	115.351	C2	N4	H8	115.354
H5	N3	H6	112.082	H7	N4	H8	112.082

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)