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	hartrees
Energy at 0K	-33.780960
Energy at 298.15K
HF Energy	-33.780960
Nuclear repulsion energy	66.544124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3851	3458	1.18	97.61	0.73	0.85
2	A	3752	3369	3.98	196.89	0.04	0.07
3	A	3355	3012	0.03	126.63	0.44	0.61
4	A	1918	1722	0.19	67.68	0.17	0.30
5	A	1802	1618	36.78	11.87	0.72	0.84
6	A	1428	1283	0.08	17.81	0.26	0.42
7	A	1371	1231	0.05	25.03	0.68	0.81
8	A	1113	1000	0.65	14.31	0.38	0.55
9	A	1051	944	88.79	2.08	0.48	0.65
10	A	934	838	146.74	2.09	0.26	0.41
11	A	575	516	1.67	8.05	0.39	0.56
12	A	320	288	2.27	3.98	0.51	0.67
13	A	257	231	20.53	1.81	0.75	0.86
14	B	3851	3458	4.13	33.68	0.75	0.86
15	B	3751	3368	0.50	51.66	0.75	0.86
16	B	3356	3014	75.11	0.82	0.75	0.86
17	B	1817	1632	62.31	7.94	0.75	0.86
18	B	1494	1342	11.47	1.81	0.75	0.86
19	B	1226	1101	135.92	0.62	0.75	0.86
20	B	1208	1084	1.46	3.73	0.75	0.86
21	B	927	832	248.23	18.07	0.75	0.86
22	B	849	763	218.02	5.75	0.75	0.86
23	B	341	306	30.63	0.39	0.75	0.86
24	B	238	214	144.69	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.595	0.019
C2	-0.318	-0.595	0.019
N3	-0.318	1.868	-0.099
N4	0.318	-1.868	-0.099
H5	1.401	0.641	0.015
H6	-1.401	-0.641	0.015
H7	-1.320	1.785	-0.069
H8	1.320	-1.785	-0.069
H9	-0.028	2.488	0.637
H10	0.028	-2.488	0.637

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3489	1.4282	2.4649	1.0832	2.1172	2.0269	2.5833	2.0215	3.1573
C2	1.3489		2.4649	1.4282	2.1172	1.0832	2.5833	2.0269	3.1573	2.0215
N3	1.4282	2.4649		3.7889	2.1145	2.7348	1.0050	4.0033	1.0055	4.4309
N4	2.4649	1.4282	3.7889		2.7348	2.1145	4.0033	1.0050	4.4309	1.0055
H5	1.0832	2.1172	2.1145	2.7348		3.0810	2.9521	2.4294	2.4160	3.4734
H6	2.1172	1.0832	2.7348	2.1145	3.0810		2.4294	2.9521	3.4734	2.4160
H7	2.0269	2.5833	1.0050	4.0033	2.9521	2.4294		4.4399	1.6313	4.5359
H8	2.5833	2.0269	4.0033	1.0050	2.4294	2.9521	4.4399		4.5359	1.6313
H9	2.0215	3.1573	1.0055	4.4309	2.4160	3.4734	1.6313	4.5359		4.9764
H10	3.1573	2.0215	4.4309	1.0055	3.4734	2.4160	4.5359	1.6313	4.9764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.119	C1	C2	H6	120.644
C1	N3	H7	111.632	C1	N3	H9	111.133
C2	C1	N3	125.119	C2	C1	H5	120.644
C2	N4	H8	111.632	C2	N4	H10	111.133
N3	C1	H5	113.988	N4	C2	H6	113.988
H7	N3	H9	108.463	H8	N4	H10	108.463

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/CEP-31G*

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	-0.244
2	C	-0.244
3	N	-0.567
4	N	-0.567
5	H	0.214
6	H	0.214
7	H	0.296
8	H	0.296
9	H	0.301
10	H	0.301

	x	y	z	Total
	0.000	0.000	2.670	2.670
CHELPG
AIM
ESP

	x	y	z
x	4.871	0.595	0.000
y	0.595	7.974	0.000
z	0.000	0.000	3.213

<r²>	82.740
(<r²>)^1/2	9.096

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)