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	hartrees
Energy at 0K	-189.241657
Energy at 298.15K
HF Energy	-189.241657
Nuclear repulsion energy	117.485282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3634	3.59
2	A	3536	3536	0.79
3	A	3165	3165	0.05
4	A	1786	1786	0.39
5	A	1621	1621	19.37
6	A	1331	1331	0.35
7	A	1282	1282	0.00
8	A	1043	1043	0.01
9	A	941	941	70.06
10	A	800	800	125.00
11	A	558	558	1.44
12	A	335	335	1.69
13	A	261	261	15.11
14	B	3634	3634	15.21
15	B	3534	3534	8.38
16	B	3167	3167	39.07
17	B	1630	1630	60.61
18	B	1382	1382	10.55
19	B	1192	1192	126.21
20	B	1123	1123	0.67
21	B	840	840	64.53
22	B	741	741	279.66
23	B	346	346	35.86
24	B	258	258	93.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.590	0.030
C2	-0.315	-0.590	0.030
N3	-0.315	1.850	-0.107
N4	0.315	-1.850	-0.107
H5	1.406	0.631	0.032
H6	-1.406	-0.631	0.032
H7	-1.325	1.781	-0.046
H8	1.325	-1.781	-0.046
H9	0.013	2.522	0.579
H10	-0.013	-2.522	0.579

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3373	1.4149	2.4435	1.0916	2.1095	2.0283	2.5784	2.0311	3.1769
C2	1.3373		2.4435	1.4149	2.1095	1.0916	2.5784	2.0283	3.1769	2.0311
N3	1.4149	2.4435		3.7524	2.1128	2.7134	1.0148	3.9843	1.0146	4.4355
N4	2.4435	1.4149	3.7524		2.7134	2.1128	3.9843	1.0148	4.4355	1.0146
H5	1.0916	2.1095	2.1128	2.7134		3.0814	2.9642	2.4144	2.4117	3.5003
H6	2.1095	1.0916	2.7134	2.1128	3.0814		2.4144	2.9642	3.5003	2.4117
H7	2.0283	2.5784	1.0148	3.9843	2.9642	2.4144		4.4399	1.6520	4.5420
H8	2.5784	2.0283	3.9843	1.0148	2.4144	2.9642	4.4399		4.5420	1.6520
H9	2.0311	3.1769	1.0146	4.4355	2.4117	3.5003	1.6520	4.5420		5.0443
H10	3.1769	2.0311	4.4355	1.0146	3.5003	2.4117	4.5420	1.6520	5.0443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.178	C1	C2	H6	120.230
C1	N3	H7	112.143	C1	N3	H9	112.400
C2	C1	N3	125.178	C2	C1	H5	120.230
C2	N4	H8	112.143	C2	N4	H10	112.400
N3	C1	H5	114.285	N4	C2	H6	114.285
H7	N3	H9	108.987	H8	N4	H10	108.987

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/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	0.334
2	C	0.334
3	N	0.735
4	N	0.735
5	H	-0.956
6	H	-0.956
7	H	-0.107
8	H	-0.107
9	H	-0.006
10	H	-0.006

	x	y	z	Total
	0.000	0.000	2.087	2.087
CHELPG
AIM
ESP

	x	y	z
x	6.285	0.017	0.000
y	0.017	9.899	0.000
z	0.000	0.000	5.209

<r²>	98.161
(<r²>)^1/2	9.908

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)