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	hartrees
Energy at 0K	-189.305044
Energy at 298.15K
HF Energy	-189.305044
Nuclear repulsion energy	116.728436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3483	3483	0.84
2	A	3393	3393	0.08
3	A	3059	3059	0.06
4	A	1675	1675	0.38
5	A	1602	1602	17.04
6	A	1302	1302	0.56
7	A	1241	1241	0.00
8	A	1000	1000	0.75
9	A	893	893	68.94
10	A	771	771	124.96
11	A	538	538	0.96
12	A	325	325	2.28
13	A	238	238	16.25
14	B	3482	3482	2.04
15	B	3391	3391	0.86
16	B	3065	3065	48.91
17	B	1607	1607	37.38
18	B	1358	1358	9.09
19	B	1125	1125	92.28
20	B	1101	1101	3.75
21	B	769	769	71.57
22	B	714	714	337.79
23	B	345	345	36.92
24	B	250	250	85.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.595	0.046
C2	-0.314	-0.595	0.046
N3	-0.314	1.863	-0.117
N4	0.314	-1.863	-0.117
H5	1.405	0.643	0.049
H6	-1.405	-0.643	0.049
H7	-1.330	1.810	-0.056
H8	1.330	-1.810	-0.056
H9	0.022	2.559	0.548
H10	-0.022	-2.559	0.548

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3462	1.4236	2.4634	1.0920	2.1187	2.0466	2.6131	2.0481	3.2121
C2	1.3462		2.4634	1.4236	2.1187	1.0920	2.6131	2.0466	3.2121	2.0481
N3	1.4236	2.4634		3.7778	2.1140	2.7381	1.0194	4.0242	1.0196	4.4813
N4	2.4634	1.4236	3.7778		2.7381	2.1140	4.0242	1.0194	4.4813	1.0196
H5	1.0920	2.1187	2.1140	2.7381		3.0904	2.9753	2.4565	2.4153	3.5414
H6	2.1187	1.0920	2.7381	2.1140	3.0904		2.4565	2.9753	3.5414	2.4153
H7	2.0466	2.6131	1.0194	4.0242	2.9753	2.4565		4.4921	1.6595	4.6008
H8	2.6131	2.0466	4.0242	1.0194	2.4565	2.9753	4.4921		4.6008	1.6595
H9	2.0481	3.2121	1.0196	4.4813	2.4153	3.5414	1.6595	4.6008		5.1191
H10	3.2121	2.0481	4.4813	1.0196	3.5414	2.4153	4.6008	1.6595	5.1191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.567	C1	C2	H6	120.316
C1	N3	H7	112.759	C1	N3	H9	112.880
C2	C1	N3	125.567	C2	C1	H5	120.316
C2	N4	H8	112.759	C2	N4	H10	112.880
N3	C1	H5	113.704	N4	C2	H6	113.704
H7	N3	H9	108.956	H8	N4	H10	108.956

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/Def2TZVPP

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	-0.038
2	C	-0.038
3	N	-0.274
4	N	-0.274
5	H	0.060
6	H	0.060
7	H	0.122
8	H	0.122
9	H	0.130
10	H	0.130

	x	y	z	Total
	0.000	0.000	1.928	1.928
CHELPG
AIM
ESP

	x	y	z
x	6.185	-0.020	0.000
y	-0.020	10.107	0.000
z	0.000	0.000	4.602

<r²>	99.445
(<r²>)^1/2	9.972

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)