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	hartrees
Energy at 0K	-187.942033
Energy at 298.15K	-187.945930
HF Energy	-187.715999
Nuclear repulsion energy	102.052271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3484	25.24
2	A	3560	3397	2.50
3	A	2365	2257	0.40
4	A	1669	1593	11.14
5	A	1206	1151	0.08
6	A	823	786	3.21
7	A	554	529	160.92
8	A	408	390	13.14
9	A	388	370	12.19
10	A	177	169	22.90
11	B	3651	3484	24.05
12	B	3563	3400	12.23
13	B	1670	1594	33.90
14	B	1371	1309	115.40
15	B	1206	1150	0.07
16	B	610	582	335.15
17	B	390	372	16.65
18	B	178	170	24.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.604	0.053
C2	-0.003	-0.604	0.053
N3	-0.003	1.954	-0.082
N4	0.003	-1.954	-0.082
H5	-0.346	2.468	0.716
H6	0.840	2.356	-0.461
H7	0.346	-2.468	0.716
H8	-0.840	-2.356	-0.461

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2076	1.3570	2.5614	2.0088	2.0087	3.1608	3.1202
C2	1.2076		2.5614	1.3570	3.1608	3.1202	2.0088	2.0087
N3	1.3570	2.5614		3.9082	1.0085	1.0087	4.5065	4.4069
N4	2.5614	1.3570	3.9082		4.5065	4.4069	1.0085	1.0087
H5	2.0088	3.1608	1.0085	4.5065		1.6752	4.9834	4.9896
H6	2.0087	3.1202	1.0087	4.4069	1.6752		4.9896	5.0026
H7	3.1608	2.0088	4.5065	1.0085	4.9834	4.9896		1.6752
H8	3.1202	2.0087	4.4069	1.0087	4.9896	5.0026	1.6752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.289	C1	N3	H5	115.467
C1	N3	H6	115.437	C2	C1	N3	174.289
C2	N4	H7	115.467	C2	N4	H8	115.437
H5	N3	H6	112.286	H7	N4	H8	112.286

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)