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	hartrees
Energy at 0K	-189.303250
Energy at 298.15K
HF Energy	-189.303250
Nuclear repulsion energy	116.723536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3481	3481	0.99
2	A	3393	3393	0.17
3	A	3056	3056	0.08
4	A	1672	1672	0.30
5	A	1601	1601	15.58
6	A	1301	1301	0.48
7	A	1236	1236	0.00
8	A	996	996	0.53
9	A	892	892	67.73
10	A	752	752	124.15
11	A	536	536	1.32
12	A	321	321	2.88
13	A	235	235	15.08
14	B	3480	3480	3.84
15	B	3391	3391	1.34
16	B	3062	3062	46.51
17	B	1606	1606	40.32
18	B	1357	1357	8.79
19	B	1119	1119	108.34
20	B	1097	1097	6.63
21	B	772	772	51.25
22	B	701	701	305.05
23	B	341	341	33.31
24	B	248	248	84.02

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	2.0509	3.2160
C2	1.3454		2.4626	1.4240	2.1183	1.0913	2.6175	2.0504	3.2160	2.0509
N3	1.4240	2.4626		3.7780	2.1135	2.7377	1.0190	4.0295	1.0191	4.4840
N4	2.4626	1.4240	3.7780		2.7377	2.1135	4.0295	1.0190	4.4840	1.0191
H5	1.0913	2.1183	2.1135	2.7377		3.0897	2.9771	2.4620	2.4135	3.5476
H6	2.1183	1.0913	2.7377	2.1135	3.0897		2.4620	2.9771	3.5476	2.4135
H7	2.0504	2.6175	1.0190	4.0295	2.9771	2.4620		4.5014	1.6616	4.6072
H8	2.6175	2.0504	4.0295	1.0190	2.4620	2.9771	4.5014		4.6072	1.6616
H9	2.0509	3.2160	1.0191	4.4840	2.4135	3.5476	1.6616	4.6072		5.1283
H10	3.2160	2.0509	4.4840	1.0191	3.5476	2.4135	4.6072	1.6616	5.1283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.529	C1	C2	H6	120.400
C1	N3	H7	113.091	C1	N3	H9	113.123
C2	C1	N3	125.529	C2	C1	H5	120.400
C2	N4	H8	113.091	C2	N4	H10	113.123
N3	C1	H5	113.678	N4	C2	H6	113.678
H7	N3	H9	109.225	H8	N4	H10	109.225

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/daug-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	-0.208
2	C	-0.208
3	N	-0.438
4	N	-0.438
5	H	0.472
6	H	0.472
7	H	0.038
8	H	0.038
9	H	0.136
10	H	0.136

	x	y	z	Total
	0.000	0.000	1.905	1.905
CHELPG
AIM
ESP

	x	y	z
x	6.763	-0.164	0.000
y	-0.164	11.111	0.000
z	0.000	0.000	5.691

<r²>	99.770
(<r²>)^1/2	9.989

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)