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	hartrees
Energy at 0K	-189.282131
Energy at 298.15K
HF Energy	-189.282131
Nuclear repulsion energy	118.234891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3650	2.33
2	A	3554	3554	1.11
3	A	3166	3166	0.04
4	A	1778	1778	0.75
5	A	1642	1642	19.32
6	A	1337	1337	0.46
7	A	1288	1288	0.02
8	A	1038	1038	0.13
9	A	941	941	66.01
10	A	783	783	140.89
11	A	554	554	2.18
12	A	331	331	3.80
13	A	244	244	15.69
14	B	3649	3649	7.41
15	B	3553	3553	3.44
16	B	3171	3171	47.12
17	B	1649	1649	51.91
18	B	1392	1392	12.02
19	B	1193	1193	123.74
20	B	1123	1123	1.18
21	B	827	827	58.96
22	B	721	721	330.22
23	B	342	342	38.88
24	B	243	243	97.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.588	0.035
C2	-0.311	-0.588	0.035
N3	-0.311	1.838	-0.107
N4	0.311	-1.838	-0.107
H5	1.394	0.628	0.037
H6	-1.394	-0.628	0.037
H7	-1.315	1.783	-0.053
H8	1.315	-1.783	-0.053
H9	0.022	2.521	0.555
H10	-0.022	-2.521	0.555

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3294	1.4038	2.4300	1.0838	2.0935	2.0201	2.5762	2.0227	3.1691
C2	1.3294		2.4300	1.4038	2.0935	1.0838	2.5762	2.0201	3.1691	2.0227
N3	1.4038	2.4300		3.7287	2.0954	2.6973	1.0075	3.9700	1.0076	4.4185
N4	2.4300	1.4038	3.7287		2.6973	2.0954	3.9700	1.0075	4.4185	1.0076
H5	1.0838	2.0935	2.0954	2.6973		3.0573	2.9464	2.4139	2.3944	3.4911
H6	2.0935	1.0838	2.6973	2.0954	3.0573		2.4139	2.9464	3.4911	2.3944
H7	2.0201	2.5762	1.0075	3.9700	2.9464	2.4139		4.4314	1.6441	4.5349
H8	2.5762	2.0201	3.9700	1.0075	2.4139	2.9464	4.4314		4.5349	1.6441
H9	2.0227	3.1691	1.0076	4.4185	2.3944	3.4911	1.6441	4.5349		5.0418
H10	3.1691	2.0227	4.4185	1.0076	3.4911	2.3944	4.5349	1.6441	5.0418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.495	C1	C2	H6	120.003
C1	N3	H7	112.778	C1	N3	H9	113.003
C2	C1	N3	125.495	C2	C1	H5	120.003
C2	N4	H8	112.778	C2	N4	H10	113.003
N3	C1	H5	114.168	N4	C2	H6	114.168
H7	N3	H9	109.349	H8	N4	H10	109.349

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/Def2TZVPP

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	-0.023
2	C	-0.023
3	N	-0.320
4	N	-0.320
5	H	0.054
6	H	0.054
7	H	0.139
8	H	0.139
9	H	0.150
10	H	0.150

	x	y	z	Total
	0.000	0.000	1.998	1.998
CHELPG
AIM
ESP

	x	y	z
x	5.837	0.086	0.000
y	0.086	9.334	0.000
z	0.000	0.000	4.401

<r²>	96.903
(<r²>)^1/2	9.844

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)