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	hartrees
Energy at 0K	-189.284102
Energy at 298.15K
HF Energy	-189.284102
Nuclear repulsion energy	117.826748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3475	0.35
2	A	3547	3385	0.99
3	A	3156	3012	0.02
4	A	1787	1706	0.01
5	A	1704	1626	32.02
6	A	1350	1288	0.61
7	A	1306	1246	0.13
8	A	1055	1007	0.68
9	A	938	896	80.05
10	A	832	794	162.09
11	A	558	533	1.87
12	A	338	323	0.83
13	A	255	243	21.42
14	B	3641	3475	0.93
15	B	3545	3383	0.81
16	B	3160	3016	60.94
17	B	1714	1636	65.05
18	B	1413	1349	7.57
19	B	1202	1147	100.21
20	B	1147	1095	0.88
21	B	817	780	165.81
22	B	759	725	307.19
23	B	350	334	45.46
24	B	250	239	109.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.591	0.040
C2	-0.310	-0.591	0.040
N3	-0.310	1.847	-0.111
N4	0.310	-1.847	-0.111
H5	1.397	0.637	0.039
H6	-1.397	-0.637	0.039
H7	-1.318	1.784	-0.081
H8	1.318	-1.784	-0.081
H9	0.001	2.517	0.579
H10	-0.001	-2.517	0.579

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3349	1.4079	2.4425	1.0884	2.1025	2.0216	2.5835	2.0235	3.1699
C2	1.3349		2.4425	1.4079	2.1025	1.0884	2.5835	2.0216	3.1699	2.0235
N3	1.4079	2.4425		3.7448	2.0976	2.7151	1.0105	3.9792	1.0110	4.4287
N4	2.4425	1.4079	3.7448		2.7151	2.0976	3.9792	1.0105	4.4287	1.0110
H5	1.0884	2.1025	2.0976	2.7151		3.0706	2.9500	2.4253	2.4037	3.4914
H6	2.1025	1.0884	2.7151	2.0976	3.0706		2.4253	2.9500	3.4914	2.4037
H7	2.0216	2.5835	1.0105	3.9792	2.9500	2.4253		4.4365	1.6461	4.5468
H8	2.5835	2.0216	3.9792	1.0105	2.4253	2.9500	4.4365		4.5468	1.6461
H9	2.0235	3.1699	1.0110	4.4287	2.4037	3.4914	1.6461	4.5468		5.0341
H10	3.1699	2.0235	4.4287	1.0110	3.4914	2.4037	4.5468	1.6461	5.0341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.858	C1	C2	H6	120.030
C1	N3	H7	112.377	C1	N3	H9	112.521
C2	C1	N3	125.858	C2	C1	H5	120.030
C2	N4	H8	112.377	C2	N4	H10	112.521
N3	C1	H5	113.720	N4	C2	H6	113.720
H7	N3	H9	109.038	H8	N4	H10	109.038

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/6-311G*

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	-0.082
2	C	-0.082
3	N	-0.775
4	N	-0.775
5	H	0.200
6	H	0.200
7	H	0.330
8	H	0.330
9	H	0.327
10	H	0.327

	x	y	z	Total
	0.000	0.000	2.324	2.324
CHELPG
AIM
ESP

	x	y	z
x	5.297	0.180	0.000
y	0.180	8.627	0.000
z	0.000	0.000	3.269

<r²>	97.355
(<r²>)^1/2	9.867

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)