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	hartrees
Energy at 0K	-189.334898
Energy at 298.15K
HF Energy	-189.334898
Nuclear repulsion energy	117.019560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3558	3558	0.84
2	A	3461	3461	0.09
3	A	3145	3145	0.06
4	A	1742	1742	0.43
5	A	1630	1630	18.46
6	A	1328	1328	0.39
7	A	1273	1273	0.01
8	A	1025	1025	0.10
9	A	929	929	67.99
10	A	798	798	111.15
11	A	543	543	1.43
12	A	323	323	2.57
13	A	245	245	15.01
14	B	3558	3558	2.51
15	B	3459	3459	1.01
16	B	3148	3148	51.35
17	B	1638	1638	42.11
18	B	1383	1383	10.81
19	B	1166	1166	113.01
20	B	1114	1114	2.31
21	B	797	797	86.04
22	B	741	741	281.35
23	B	343	343	42.27
24	B	246	246	80.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.594	0.041
C2	-0.315	-0.594	0.041
N3	-0.315	1.856	-0.115
N4	0.315	-1.856	-0.115
H5	1.407	0.643	0.041
H6	-1.407	-0.643	0.041
H7	-1.329	1.792	-0.042
H8	1.329	-1.792	-0.042
H9	0.015	2.540	0.564
H10	-0.015	-2.540	0.564

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3452	1.4194	2.4557	1.0928	2.1205	2.0355	2.5939	2.0369	3.1945
C2	1.3452		2.4557	1.4194	2.1205	1.0928	2.5939	2.0355	3.1945	2.0369
N3	1.4194	2.4557		3.7660	2.1121	2.7323	1.0183	4.0023	1.0187	4.4585
N4	2.4557	1.4194	3.7660		2.7323	2.1121	4.0023	1.0183	4.4585	1.0187
H5	1.0928	2.1205	2.1121	2.7323		3.0938	2.9680	2.4380	2.4097	3.5252
H6	2.1205	1.0928	2.7323	2.1121	3.0938		2.4380	2.9680	3.5252	2.4097
H7	2.0355	2.5939	1.0183	4.0023	2.9680	2.4380		4.4617	1.6530	4.5670
H8	2.5939	2.0355	4.0023	1.0183	2.4380	2.9680	4.4617		4.5670	1.6530
H9	2.0369	3.1945	1.0187	4.4585	2.4097	3.5252	1.6530	4.5670		5.0797
H10	3.1945	2.0369	4.4585	1.0187	3.5252	2.4097	4.5670	1.6530	5.0797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.288	C1	C2	H6	120.510
C1	N3	H7	112.190	C1	N3	H9	112.283
C2	C1	N3	125.288	C2	C1	H5	120.510
C2	N4	H8	112.190	C2	N4	H10	112.283
N3	C1	H5	113.802	N4	C2	H6	113.802
H7	N3	H9	108.481	H8	N4	H10	108.481

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/daug-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	0.434
2	C	0.434
3	N	0.277
4	N	0.277
5	H	-0.713
6	H	-0.713
7	H	-0.040
8	H	-0.040
9	H	0.042
10	H	0.042

	x	y	z	Total
	0.000	0.000	2.012	2.012
CHELPG
AIM
ESP

	x	y	z
x	6.510	-0.082	0.000
y	-0.082	10.563	0.000
z	0.000	0.000	5.437

<r²>	98.864
(<r²>)^1/2	9.943

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)