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	hartrees
Energy at 0K	-187.855643
Energy at 298.15K	-187.859642
HF Energy	-187.656792
Nuclear repulsion energy	101.258859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3603	3453	14.11
2	A	3516	3370	2.82
3	A	2371	2273	0.15
4	A	1645	1577	9.75
5	A	1220	1169	0.13
6	A	823	789	6.63
7	A	661	634	98.04
8	A	383	368	1.58
9	A	364	349	30.26
10	A	190	182	17.83
11	B	3603	3453	13.42
12	B	3519	3373	4.80
13	B	1644	1576	15.70
14	B	1368	1312	89.52
15	B	1220	1169	0.10
16	B	724	694	322.06
17	B	384	368	16.34
18	B	191	183	19.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.612	0.043
C2	-0.005	-0.612	0.043
N3	-0.005	1.968	-0.082
N4	0.005	-1.968	-0.082
H5	-0.319	2.462	0.748
H6	0.863	2.362	-0.433
H7	0.319	-2.462	0.748
H8	-0.863	-2.362	-0.433

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2234	1.3616	2.5822	2.0061	2.0065	3.1689	3.1338
C2	1.2234		2.5822	1.3616	3.1689	3.1338	2.0061	2.0065
N3	1.3616	2.5822		3.9351	1.0154	1.0157	4.5178	4.4276
N4	2.5822	1.3616	3.9351		4.5178	4.4276	1.0154	1.0157
H5	2.0061	3.1689	1.0154	4.5178		1.6737	4.9646	4.9956
H6	2.0065	3.1338	1.0157	4.4276	1.6737		4.9956	5.0292
H7	3.1689	2.0061	4.5178	1.0154	4.9646	4.9956		1.6737
H8	3.1338	2.0065	4.4276	1.0157	4.9956	5.0292	1.6737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.698	C1	N3	H5	114.340
C1	N3	H6	114.355	C2	C1	N3	174.698
C2	N4	H7	114.340	C2	N4	H8	114.355
H5	N3	H6	110.986	H7	N4	H8	110.986

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)