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	hartrees
Energy at 0K	-187.907628
Energy at 298.15K	-187.911701
HF Energy	-187.686553
Nuclear repulsion energy	101.899776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3649	11.88
2	A	3563	3563	2.11
3	A	2365	2365	0.29
4	A	1721	1721	13.82
5	A	1238	1238	0.12
6	A	823	823	5.51
7	A	609	609	156.95
8	A	419	419	0.01
9	A	403	403	30.17
10	A	200	200	21.66
11	B	3649	3649	11.37
12	B	3566	3566	3.64
13	B	1721	1721	32.65
14	B	1375	1375	95.49
15	B	1237	1237	0.16
16	B	667	667	385.24
17	B	416	416	15.97
18	B	200	200	24.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.605	0.058
C2	-0.002	-0.605	0.058
N3	-0.002	1.955	-0.086
N4	0.002	-1.955	-0.086
H5	-0.336	2.471	0.714
H6	0.849	2.349	-0.458
H7	0.336	-2.471	0.714
H8	-0.849	-2.349	-0.458

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2103	1.3580	2.5646	2.0061	2.0061	3.1625	3.1172
C2	1.2103		2.5646	1.3580	3.1625	3.1172	2.0061	2.0061
N3	1.3580	2.5646		3.9108	1.0087	1.0090	4.5105	4.4024
N4	2.5646	1.3580	3.9108		4.5105	4.4024	1.0087	1.0090
H5	2.0061	3.1625	1.0087	4.5105		1.6713	4.9866	4.9864
H6	2.0061	3.1172	1.0090	4.4024	1.6713		4.9864	4.9951
H7	3.1625	2.0061	4.5105	1.0087	4.9866	4.9864		1.6713
H8	3.1172	2.0061	4.4024	1.0090	4.9864	4.9951	1.6713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.868	C1	N3	H5	115.110
C1	N3	H6	115.093	C2	C1	N3	173.868
C2	N4	H7	115.110	C2	N4	H8	115.093
H5	N3	H6	111.850	H7	N4	H8	111.850

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)