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	hartrees
Energy at 0K	-189.317635
Energy at 298.15K
HF Energy	-189.317635
Nuclear repulsion energy	117.984833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3654	3486	2.10
2	A	3556	3393	1.89
3	A	3163	3017	0.05
4	A	1775	1694	1.19
5	A	1656	1580	24.29
6	A	1345	1283	0.34
7	A	1292	1232	0.06
8	A	1042	994	0.15
9	A	940	897	71.66
10	A	779	744	170.45
11	A	559	533	2.62
12	A	332	317	3.66
13	A	248	237	18.87
14	B	3654	3485	6.18
15	B	3554	3391	3.02
16	B	3167	3021	47.68
17	B	1664	1587	65.49
18	B	1401	1336	7.67
19	B	1193	1138	126.44
20	B	1133	1081	1.38
21	B	820	782	54.50
22	B	719	686	349.59
23	B	344	329	36.09
24	B	246	235	113.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.039
C2	-0.311	-0.589	0.039
N3	-0.311	1.842	-0.107
N4	0.311	-1.842	-0.107
H5	1.396	0.633	0.041
H6	-1.396	-0.633	0.041
H7	-1.318	1.791	-0.080
H8	1.318	-1.791	-0.080
H9	0.014	2.527	0.559
H10	-0.014	-2.527	0.559

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3324	1.4057	2.4356	1.0866	2.0992	2.0274	2.5871	2.0283	3.1763
C2	1.3324		2.4356	1.4057	2.0992	1.0866	2.5871	2.0274	3.1763	2.0283
N3	1.4057	2.4356		3.7357	2.0972	2.7062	1.0094	3.9810	1.0096	4.4295
N4	2.4356	1.4057	3.7357		2.7062	2.0972	3.9810	1.0094	4.4295	1.0096
H5	1.0866	2.0992	2.0972	2.7062		3.0659	2.9538	2.4273	2.4019	3.4989
H6	2.0992	1.0866	2.7062	2.0972	3.0659		2.4273	2.9538	3.4989	2.4019
H7	2.0274	2.5871	1.0094	3.9810	2.9538	2.4273		4.4470	1.6510	4.5554
H8	2.5871	2.0274	3.9810	1.0094	2.4273	2.9538	4.4470		4.5554	1.6510
H9	2.0283	3.1763	1.0096	4.4295	2.4019	3.4989	1.6510	4.5554		5.0545
H10	3.1763	2.0283	4.4295	1.0096	3.4989	2.4019	4.5554	1.6510	5.0545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.604	C1	C2	H6	120.071
C1	N3	H7	113.142	C1	N3	H9	113.207
C2	C1	N3	125.604	C2	C1	H5	120.071
C2	N4	H8	113.142	C2	N4	H10	113.207
N3	C1	H5	113.974	N4	C2	H6	113.974
H7	N3	H9	109.715	H8	N4	H10	109.715

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	-0.119
2	C	-0.119
3	N	-0.396
4	N	-0.396
5	H	0.100
6	H	0.100
7	H	0.201
8	H	0.201
9	H	0.214
10	H	0.214

	x	y	z	Total
	0.000	0.000	2.119	2.119
CHELPG
AIM
ESP

	x	y	z
x	5.567	0.210	0.000
y	0.210	9.123	0.000
z	0.000	0.000	4.163

<r²>	97.304
(<r²>)^1/2	9.864

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)