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	hartrees
Energy at 0K	-189.331222
Energy at 298.15K
HF Energy	-189.331222
Nuclear repulsion energy	117.126358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3593	3593	1.67
2	A	3496	3496	0.02
3	A	3147	3147	0.07
4	A	1747	1747	0.50
5	A	1626	1626	17.37
6	A	1327	1327	0.41
7	A	1271	1271	0.01
8	A	1026	1026	0.01
9	A	925	925	67.03
10	A	768	768	131.37
11	A	550	550	1.71
12	A	320	320	3.62
13	A	241	241	14.56
14	B	3592	3592	6.78
15	B	3494	3494	2.39
16	B	3152	3152	45.46
17	B	1633	1633	50.26
18	B	1382	1382	9.33
19	B	1165	1165	129.17
20	B	1117	1117	2.18
21	B	814	814	49.20
22	B	714	714	298.46
23	B	340	340	29.65
24	B	246	246	97.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.594	0.036
C2	-0.314	-0.594	0.036
N3	-0.314	1.856	-0.109
N4	0.314	-1.856	-0.109
H5	1.406	0.640	0.039
H6	-1.406	-0.640	0.039
H7	-1.327	1.803	-0.050
H8	1.327	-1.803	-0.050
H9	0.023	2.545	0.557
H10	-0.023	-2.545	0.557

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3430	1.4172	2.4536	1.0928	2.1164	2.0400	2.6030	2.0406	3.1993
C2	1.3430		2.4536	1.4172	2.1164	1.0928	2.6030	2.0400	3.1993	2.0406
N3	1.4172	2.4536		3.7643	2.1114	2.7280	1.0158	4.0100	1.0159	4.4604
N4	2.4536	1.4172	3.7643		2.7280	2.1114	4.0100	1.0158	4.4604	1.0159
H5	1.0928	2.1164	2.1114	2.7280		3.0892	2.9710	2.4455	2.4105	3.5289
H6	2.1164	1.0928	2.7280	2.1114	3.0892		2.4455	2.9710	3.5289	2.4105
H7	2.0400	2.6030	1.0158	4.0100	2.9710	2.4455		4.4767	1.6555	4.5795
H8	2.6030	2.0400	4.0100	1.0158	2.4455	2.9710	4.4767		4.5795	1.6555
H9	2.0406	3.1993	1.0159	4.4604	2.4105	3.5289	1.6555	4.5795		5.0903
H10	3.1993	2.0406	4.4604	1.0159	3.5289	2.4105	4.5795	1.6555	5.0903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.456	C1	C2	H6	120.302
C1	N3	H7	112.916	C1	N3	H9	112.968
C2	C1	N3	125.456	C2	C1	H5	120.302
C2	N4	H8	112.916	C2	N4	H10	112.968
N3	C1	H5	113.908	N4	C2	H6	113.908
H7	N3	H9	109.145	H8	N4	H10	109.145

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYPultrafine/daug-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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Number	Element	Mulliken
1	C	0.485
2	C	0.485
3	N	0.662
4	N	0.662
5	H	-0.958
6	H	-0.958
7	H	-0.144
8	H	-0.144
9	H	-0.045
10	H	-0.045

	x	y	z	Total
	0.000	0.000	1.999	1.999
CHELPG
AIM
ESP

	x	y	z
x	6.497	-0.043	0.000
y	-0.043	10.482	0.000
z	0.000	0.000	5.423

<r²>	98.992
(<r²>)^1/2	9.949

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)