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	hartrees
Energy at 0K	-189.313070
Energy at 298.15K
HF Energy	-189.313070
Nuclear repulsion energy	116.955238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3530	3432	0.16
2	A	3435	3340	0.79
3	A	3135	3049	0.02
4	A	1755	1706	0.27
5	A	1631	1586	19.06
6	A	1324	1288	0.55
7	A	1287	1252	0.03
8	A	1039	1010	0.82
9	A	932	907	65.86
10	A	850	827	96.08
11	A	547	532	0.72
12	A	337	328	0.42
13	A	257	250	15.99
14	B	3529	3431	0.89
15	B	3432	3338	4.00
16	B	3136	3050	56.31
17	B	1639	1594	29.89
18	B	1384	1346	12.35
19	B	1183	1151	86.69
20	B	1123	1092	1.38
21	B	804	782	338.68
22	B	768	747	99.10
23	B	356	346	54.29
24	B	256	249	72.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.596	0.039
C2	-0.313	-0.596	0.039
N3	-0.313	1.859	-0.120
N4	0.313	-1.859	-0.120
H5	1.409	0.643	0.041
H6	-1.409	-0.643	0.041
H7	-1.329	1.779	-0.031
H8	1.329	-1.779	-0.031
H9	0.003	2.522	0.593
H10	-0.003	-2.522	0.593

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3465	1.4183	2.4599	1.0969	2.1215	2.0250	2.5845	2.0281	3.1829
C2	1.3465		2.4599	1.4183	2.1215	1.0969	2.5845	2.0250	3.1829	2.0281
N3	1.4183	2.4599		3.7697	2.1138	2.7362	1.0227	3.9923	1.0239	4.4495
N4	2.4599	1.4183	3.7697		2.7362	2.1138	3.9923	1.0227	4.4495	1.0239
H5	1.0969	2.1215	2.1138	2.7362		3.0976	2.9650	2.4250	2.4108	3.5098
H6	2.1215	1.0969	2.7362	2.1138	3.0976		2.4250	2.9650	3.5098	2.4108
H7	2.0250	2.5845	1.0227	3.9923	2.9650	2.4250		4.4415	1.6479	4.5445
H8	2.5845	2.0250	3.9923	1.0227	2.4250	2.9650	4.4415		4.5445	1.6479
H9	2.0281	3.1829	1.0239	4.4495	2.4108	3.5098	1.6479	4.5445		5.0448
H10	3.1829	2.0281	4.4495	1.0239	3.5098	2.4108	4.5445	1.6479	5.0448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.662	C1	C2	H6	120.170
C1	N3	H7	111.075	C1	N3	H9	111.262
C2	C1	N3	125.662	C2	C1	H5	120.170
C2	N4	H8	111.075	C2	N4	H10	111.262
N3	C1	H5	113.757	N4	C2	H6	113.757
H7	N3	H9	107.250	H8	N4	H10	107.250

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/cc-pVDZ

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	-0.033
2	C	-0.033
3	N	-0.150
4	N	-0.150
5	H	0.006
6	H	0.006
7	H	0.082
8	H	0.082
9	H	0.096
10	H	0.096

	x	y	z	Total
	0.000	0.000	2.133	2.133
CHELPG
AIM
ESP

	x	y	z
x	5.467	0.069	0.000
y	0.069	8.847	0.000
z	0.000	0.000	3.047

<r²>	98.195
(<r²>)^1/2	9.909

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)