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	hartrees
Energy at 0K	-189.303003
Energy at 298.15K
HF Energy	-189.303003
Nuclear repulsion energy	116.721788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3482	3470	1.00
2	A	3394	3382	0.15
3	A	3057	3047	0.08
4	A	1672	1667	0.30
5	A	1602	1596	15.46
6	A	1301	1296	0.48
7	A	1236	1232	0.00
8	A	996	992	0.56
9	A	892	889	68.16
10	A	752	749	123.89
11	A	536	534	1.33
12	A	321	319	2.94
13	A	234	234	15.09
14	B	3481	3469	3.88
15	B	3392	3380	1.31
16	B	3063	3053	46.47
17	B	1607	1601	40.26
18	B	1357	1352	8.81
19	B	1119	1115	108.36
20	B	1097	1094	6.63
21	B	771	768	53.47
22	B	701	699	304.23
23	B	341	339	33.07
24	B	248	247	84.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.595	0.044
C2	-0.314	-0.595	0.044
N3	-0.314	1.863	-0.114
N4	0.314	-1.863	-0.114
H5	1.404	0.643	0.047
H6	-1.404	-0.643	0.047
H7	-1.330	1.815	-0.053
H8	1.330	-1.815	-0.053
H9	0.029	2.564	0.541
H10	-0.029	-2.564	0.541

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3454	1.4240	2.4626	1.0913	2.1183	2.0504	2.6175	2.0508	3.2160
C2	1.3454		2.4626	1.4240	2.1183	1.0913	2.6175	2.0504	3.2160	2.0508
N3	1.4240	2.4626		3.7781	2.1135	2.7377	1.0190	4.0296	1.0191	4.4841
N4	2.4626	1.4240	3.7781		2.7377	2.1135	4.0296	1.0190	4.4841	1.0191
H5	1.0913	2.1183	2.1135	2.7377		3.0897	2.9771	2.4620	2.4133	3.5479
H6	2.1183	1.0913	2.7377	2.1135	3.0897		2.4620	2.9771	3.5479	2.4133
H7	2.0504	2.6175	1.0190	4.0296	2.9771	2.4620		4.5015	1.6616	4.6071
H8	2.6175	2.0504	4.0296	1.0190	2.4620	2.9771	4.5015		4.6071	1.6616
H9	2.0508	3.2160	1.0191	4.4841	2.4133	3.5479	1.6616	4.6071		5.1285
H10	3.2160	2.0508	4.4841	1.0191	3.5479	2.4133	4.6071	1.6616	5.1285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.528	C1	C2	H6	120.404
C1	N3	H7	113.085	C1	N3	H9	113.116
C2	C1	N3	125.528	C2	C1	H5	120.404
C2	N4	H8	113.085	C2	N4	H10	113.116
N3	C1	H5	113.673	N4	C2	H6	113.673
H7	N3	H9	109.221	H8	N4	H10	109.221

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/aug-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	-0.084
2	C	-0.084
3	N	-0.349
4	N	-0.349
5	H	0.337
6	H	0.337
7	H	0.056
8	H	0.056
9	H	0.040
10	H	0.040

	x	y	z	Total
	0.000	0.000	1.904	1.904
CHELPG
AIM
ESP

	x	y	z
x	6.728	-0.137	0.000
y	-0.137	11.036	0.000
z	0.000	0.000	5.641

<r²>	99.768
(<r²>)^1/2	9.988

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)