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	hartrees
Energy at 0K	-188.196040
Energy at 298.15K
HF Energy	-188.196040
Nuclear repulsion energy	117.301730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3454	2.23
2	A	3523	3346	1.84
3	A	3176	3016	0.14
4	A	1765	1676	0.66
5	A	1713	1626	14.65
6	A	1365	1296	1.83
7	A	1295	1230	0.01
8	A	1030	978	0.44
9	A	960	911	89.45
10	A	586	557	215.69
11	A	554	526	156.13
12	A	354	336	6.81
13	A	248	236	27.34
14	B	3637	3453	5.74
15	B	3521	3344	6.38
16	B	3182	3021	50.37
17	B	1715	1629	74.90
18	B	1414	1342	2.80
19	B	1197	1136	116.41
20	B	1137	1079	5.92
21	B	824	783	21.24
22	B	502	477	337.30
23	B	340	323	28.51
24	B	191	182	241.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.042
C2	-0.312	-0.593	0.042
N3	-0.312	1.849	-0.090
N4	0.312	-1.849	-0.090
H5	1.399	0.631	0.051
H6	-1.399	-0.631	0.051
H7	-1.322	1.841	-0.187
H8	1.322	-1.841	-0.187
H9	0.034	2.590	0.510
H10	-0.034	-2.590	0.510

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3402	1.4092	2.4452	1.0873	2.1040	2.0694	2.6446	2.0704	3.2360
C2	1.3402		2.4452	1.4092	2.1040	1.0873	2.6446	2.0694	3.2360	2.0704
N3	1.4092	2.4452		3.7502	2.1055	2.7109	1.0146	4.0367	1.0149	4.4882
N4	2.4452	1.4092	3.7502		2.7109	2.1055	4.0367	1.0146	4.4882	1.0149
H5	1.0873	2.1040	2.1055	2.7109		3.0694	2.9878	2.4840	2.4317	3.5553
H6	2.1040	1.0873	2.7109	2.1055	3.0694		2.4840	2.9878	3.5553	2.4317
H7	2.0694	2.6446	1.0146	4.0367	2.9878	2.4840		4.5328	1.6997	4.6667
H8	2.6446	2.0694	4.0367	1.0146	2.4840	2.9878	4.5328		4.6667	1.6997
H9	2.0704	3.2360	1.0149	4.4882	2.4317	3.5553	1.6997	4.6667		5.1810
H10	3.2360	2.0704	4.4882	1.0149	3.5553	2.4317	4.6667	1.6997	5.1810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.570	C1	C2	H6	119.796
C1	N3	H7	116.305	C1	N3	H9	116.382
C2	C1	N3	125.570	C2	C1	H5	119.796
C2	N4	H8	116.305	C2	N4	H10	116.382
N3	C1	H5	114.388	N4	C2	H6	114.388
H7	N3	H9	113.757	H8	N4	H10	113.757

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/3-21G*

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	-0.770
4	N	-0.770
5	H	0.202
6	H	0.202
7	H	0.301
8	H	0.301
9	H	0.300
10	H	0.300

	x	y	z	Total
	0.000	0.000	2.003	2.003
CHELPG
AIM
ESP

	x	y	z
x	4.601	0.157	0.000
y	0.157	8.043	0.000
z	0.000	0.000	1.757

<r²>	97.894
(<r²>)^1/2	9.894

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)