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	hartrees
Energy at 0K	-186.756288
Energy at 298.15K
HF Energy	-186.756288
Nuclear repulsion energy	113.649196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3542	3277	0.85
2	A	3345	3095	13.93
3	A	3335	3085	1.65
4	A	1804	1669	1.46
5	A	1754	1622	11.13
6	A	1369	1267	1.52
7	A	1334	1234	0.63
8	A	1066	986	3.69
9	A	970	897	44.51
10	A	860	796	36.08
11	A	525	486	0.09
12	A	326	302	1.07
13	A	255	236	8.18
14	B	3541	3276	20.65
15	B	3338	3088	12.13
16	B	3331	3082	19.32
17	B	1766	1633	7.85
18	B	1447	1339	10.58
19	B	1216	1125	6.16
20	B	1169	1081	1.63
21	B	789	730	431.09
22	B	747	691	29.34
23	B	369	341	58.39
24	B	268	248	34.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.599	0.042
C2	-0.327	-0.599	0.042
N3	-0.327	1.912	-0.145
N4	0.327	-1.912	-0.145
H5	1.433	0.652	0.030
H6	-1.433	-0.652	0.030
H7	-1.352	1.800	0.140
H8	1.352	-1.800	0.140
H9	0.077	2.580	0.589
H10	-0.077	-2.580	0.589

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3652	1.4789	2.5182	1.1072	2.1594	2.0662	2.6101	2.0700	3.2509
C2	1.3652		2.5182	1.4789	2.1594	1.1072	2.6101	2.0662	3.2509	2.0700
N3	1.4789	2.5182		3.8799	2.1719	2.7978	1.0694	4.0837	1.0711	4.5585
N4	2.5182	1.4789	3.8799		2.7978	2.1719	4.0837	1.0694	4.5585	1.0711
H5	1.1072	2.1594	2.1719	2.7978		3.1486	3.0139	2.4552	2.4224	3.6106
H6	2.1594	1.1072	2.7978	2.1719	3.1486		2.4552	3.0139	3.6106	2.4224
H7	2.0662	2.6101	1.0694	4.0837	3.0139	2.4552		4.5013	1.6886	4.5833
H8	2.6101	2.0662	4.0837	1.0694	2.4552	3.0139	4.5013		4.5833	1.6886
H9	2.0700	3.2509	1.0711	4.5585	2.4224	3.6106	1.6886	4.5833		5.1623
H10	3.2509	2.0700	4.5585	1.0711	3.6106	2.4224	4.5833	1.6886	5.1623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.557	C1	C2	H6	121.365
C1	N3	H7	107.254	C1	N3	H9	107.458
C2	C1	N3	124.557	C2	C1	H5	121.365
C2	N4	H8	107.254	C2	N4	H10	107.458
N3	C1	H5	113.466	N4	C2	H6	113.466
H7	N3	H9	104.163	H8	N4	H10	104.163

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/STO-3G

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	-0.052
2	C	-0.052
3	N	-0.337
4	N	-0.337
5	H	0.064
6	H	0.064
7	H	0.163
8	H	0.163
9	H	0.162
10	H	0.162

	x	y	z	Total
	0.000	0.000	2.744	2.744
CHELPG
AIM
ESP

	x	y	z
x	3.331	-0.050	0.000
y	-0.050	6.609	0.000
z	0.000	0.000	1.001

<r²>	101.672
(<r²>)^1/2	10.083

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)