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	hartrees
Energy at 0K	-189.300452
Energy at 298.15K
HF Energy	-189.300452
Nuclear repulsion energy	117.855959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3486	1.21
2	A	3548	3394	1.87
3	A	3156	3020	0.00
4	A	1779	1702	0.29
5	A	1652	1581	24.31
6	A	1338	1280	0.61
7	A	1295	1239	0.06
8	A	1045	1000	0.16
9	A	938	897	76.86
10	A	805	770	152.15
11	A	557	533	1.86
12	A	336	322	1.76
13	A	252	241	18.00
14	B	3643	3486	3.28
15	B	3546	3393	0.53
16	B	3160	3023	52.55
17	B	1660	1589	58.23
18	B	1397	1337	8.47
19	B	1198	1147	113.30
20	B	1132	1083	0.94
21	B	817	782	83.74
22	B	739	707	343.90
23	B	348	333	40.15
24	B	249	238	102.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.591	0.037
C2	-0.311	-0.591	0.037
N3	-0.311	1.846	-0.109
N4	0.311	-1.846	-0.109
H5	1.397	0.633	0.037
H6	-1.397	-0.633	0.037
H7	-1.318	1.784	-0.064
H8	1.318	-1.784	-0.064
H9	0.011	2.519	0.572
H10	-0.011	-2.519	0.572

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3349	1.4076	2.4407	1.0876	2.1010	2.0217	2.5819	2.0239	3.1724
C2	1.3349		2.4407	1.4076	2.1010	1.0876	2.5819	2.0217	3.1724	2.0239
N3	1.4076	2.4407		3.7429	2.0997	2.7102	1.0108	3.9786	1.0111	4.4279
N4	2.4407	1.4076	3.7429		2.7102	2.0997	3.9786	1.0108	4.4279	1.0111
H5	1.0876	2.1010	2.0997	2.7102		3.0679	2.9514	2.4203	2.4013	3.4938
H6	2.1010	1.0876	2.7102	2.0997	3.0679		2.4203	2.9514	3.4938	2.4013
H7	2.0217	2.5819	1.0108	3.9786	2.9514	2.4203		4.4367	1.6473	4.5424
H8	2.5819	2.0217	3.9786	1.0108	2.4203	2.9514	4.4367		4.5424	1.6473
H9	2.0239	3.1724	1.0111	4.4279	2.4013	3.4938	1.6473	4.5424		5.0388
H10	3.1724	2.0239	4.4279	1.0111	3.4938	2.4013	4.5424	1.6473	5.0388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.717	C1	C2	H6	119.941
C1	N3	H7	112.401	C1	N3	H9	112.566
C2	C1	N3	125.717	C2	C1	H5	119.941
C2	N4	H8	112.401	C2	N4	H10	112.566
N3	C1	H5	113.987	N4	C2	H6	113.987
H7	N3	H9	109.121	H8	N4	H10	109.121

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/6-311G**

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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Number	Element	Mulliken
1	C	-0.057
2	C	-0.057
3	N	-0.452
4	N	-0.452
5	H	0.105
6	H	0.105
7	H	0.199
8	H	0.199
9	H	0.205
10	H	0.205

	x	y	z	Total
	0.000	0.000	2.185	2.185
CHELPG
AIM
ESP

	x	y	z
x	5.402	0.172	0.000
y	0.172	8.720	0.000
z	0.000	0.000	3.391

<r²>	97.231
(<r²>)^1/2	9.861

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)