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	hartrees
Energy at 0K	-189.327202
Energy at 298.15K
HF Energy	-189.327202
Nuclear repulsion energy	118.060705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3647	2.44
2	A	3553	3553	0.23
3	A	3159	3159	0.06
4	A	1771	1771	0.51
5	A	1647	1647	18.10
6	A	1339	1339	0.45
7	A	1289	1289	0.01
8	A	1037	1037	0.14
9	A	940	940	68.69
10	A	774	774	136.78
11	A	555	555	2.38
12	A	331	331	4.19
13	A	243	243	15.00
14	B	3647	3647	10.78
15	B	3552	3552	4.74
16	B	3163	3163	42.96
17	B	1653	1653	54.70
18	B	1396	1396	10.10
19	B	1189	1189	134.42
20	B	1125	1125	1.25
21	B	827	827	50.44
22	B	717	717	299.88
23	B	344	344	33.72
24	B	247	247	95.55

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	1.395	0.631	0.035
H6	-1.395	-0.631	0.035
H7	-1.317	1.791	-0.048
H8	1.317	-1.791	-0.048
H9	0.030	2.528	0.549
H10	-0.030	-2.528	0.549

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3312	1.4054	2.4336	1.0853	2.0972	2.0256	2.5849	2.0262	3.1770
C2	1.3312		2.4336	1.4054	2.0972	1.0853	2.5849	2.0256	3.1770	2.0262
N3	1.4054	2.4336		3.7342	2.0970	2.7028	1.0087	3.9807	1.0087	4.4266
N4	2.4336	1.4054	3.7342		2.7028	2.0970	3.9807	1.0087	4.4266	1.0087
H5	1.0853	2.0972	2.0970	2.7028		3.0627	2.9513	2.4245	2.3932	3.5031
H6	2.0972	1.0853	2.7028	2.0970	3.0627		2.4245	2.9513	3.5031	2.3932
H7	2.0256	2.5849	1.0087	3.9807	2.9513	2.4245		4.4463	1.6474	4.5460
H8	2.5849	2.0256	3.9807	1.0087	2.4245	2.9513	4.4463		4.5460	1.6474
H9	2.0262	3.1770	1.0087	4.4266	2.3932	3.5031	1.6474	4.5460		5.0559
H10	3.1770	2.0262	4.4266	1.0087	3.5031	2.3932	4.5460	1.6474	5.0559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.534	C1	C2	H6	120.075
C1	N3	H7	113.054	C1	N3	H9	113.107
C2	C1	N3	125.534	C2	C1	H5	120.075
C2	N4	H8	113.054	C2	N4	H10	113.107
N3	C1	H5	114.068	N4	C2	H6	114.068
H7	N3	H9	109.502	H8	N4	H10	109.502

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/daug-cc-pVTZ

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	-0.196
2	C	-0.196
3	N	-0.550
4	N	-0.550
5	H	0.568
6	H	0.568
7	H	0.044
8	H	0.044
9	H	0.134
10	H	0.134

	x	y	z	Total
	0.000	0.000	1.986	1.986
CHELPG
AIM
ESP

	x	y	z
x	6.271	-0.023	0.000
y	-0.023	10.092	0.000
z	0.000	0.000	5.229

<r²>	97.374
(<r²>)^1/2	9.868

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)