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	hartrees
Energy at 0K	-189.321349
Energy at 298.15K
HF Energy	-189.321349
Nuclear repulsion energy	118.063175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3655	2.64
2	A	3561	3561	0.49
3	A	3157	3157	0.06
4	A	1772	1772	0.50
5	A	1646	1646	19.71
6	A	1341	1341	0.38
7	A	1289	1289	0.01
8	A	1037	1037	0.08
9	A	939	939	70.13
10	A	772	772	139.49
11	A	556	556	2.49
12	A	330	330	4.62
13	A	241	241	15.15
14	B	3655	3655	11.48
15	B	3559	3559	5.49
16	B	3161	3161	42.69
17	B	1653	1653	58.74
18	B	1396	1396	9.73
19	B	1191	1191	133.67
20	B	1123	1123	1.41
21	B	827	827	52.60
22	B	714	714	307.51
23	B	343	343	32.39
24	B	246	246	98.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.034
C2	-0.311	-0.589	0.034
N3	-0.311	1.841	-0.106
N4	0.311	-1.841	-0.106
H5	1.396	0.631	0.035
H6	-1.396	-0.631	0.035
H7	-1.317	1.792	-0.047
H8	1.317	-1.792	-0.047
H9	0.031	2.528	0.549
H10	-0.031	-2.528	0.549

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3311	1.4051	2.4333	1.0855	2.0974	2.0264	2.5861	2.0264	3.1774
C2	1.3311		2.4333	1.4051	2.0974	1.0855	2.5861	2.0264	3.1774	2.0264
N3	1.4051	2.4333		3.7337	2.0965	2.7029	1.0091	3.9817	1.0090	4.4266
N4	2.4333	1.4051	3.7337		2.7029	2.0965	3.9817	1.0091	4.4266	1.0090
H5	1.0855	2.0974	2.0965	2.7029		3.0631	2.9520	2.4261	2.3930	3.5041
H6	2.0974	1.0855	2.7029	2.0965	3.0631		2.4261	2.9520	3.5041	2.3930
H7	2.0264	2.5861	1.0091	3.9817	2.9520	2.4261		4.4486	1.6473	4.5473
H8	2.5861	2.0264	3.9817	1.0091	2.4261	2.9520	4.4486		4.5473	1.6473
H9	2.0264	3.1774	1.0090	4.4266	2.3930	3.5041	1.6473	4.5473		5.0567
H10	3.1774	2.0264	4.4266	1.0090	3.5041	2.3930	4.5473	1.6473	5.0567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.550	C1	C2	H6	120.085
C1	N3	H7	113.128	C1	N3	H9	113.136
C2	C1	N3	125.550	C2	C1	H5	120.085
C2	N4	H8	113.128	C2	N4	H10	113.136
N3	C1	H5	114.041	N4	C2	H6	114.041
H7	N3	H9	109.427	H8	N4	H10	109.427

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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	0.358
2	C	0.358
3	N	-0.818
4	N	-0.818
5	H	0.106
6	H	0.106
7	H	0.174
8	H	0.174
9	H	0.180
10	H	0.180

	x	y	z	Total
	0.000	0.000	2.000	2.000
CHELPG
AIM
ESP

	x	y	z
x	6.070	0.059	0.000
y	0.059	9.784	0.000
z	0.000	0.000	5.054

<r²>	97.352
(<r²>)^1/2	9.867

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)