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	hartrees
Energy at 0K	-189.188381
Energy at 298.15K
HF Energy	-189.188381
Nuclear repulsion energy	117.572438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3579	4.51
2	A	3654	3459	0.89
3	A	3195	3024	0.24
4	A	1800	1704	2.41
5	A	1712	1620	8.24
6	A	1373	1299	1.44
7	A	1307	1237	1.51
8	A	1029	974	0.95
9	A	952	901	80.53
10	A	578	547	28.85
11	A	458	433	492.69
12	A	350	331	47.93
13	A	232	220	30.33
14	B	3781	3579	13.44
15	B	3652	3457	20.28
16	B	3198	3028	65.50
17	B	1715	1623	114.44
18	B	1419	1343	9.11
19	B	1238	1172	187.31
20	B	1119	1059	5.81
21	B	827	783	23.93
22	B	407	386	208.77
23	B	329	311	5.05
24	B	168	159	210.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.594	0.050
C2	-0.315	-0.594	0.050
N3	-0.315	1.840	-0.075
N4	0.315	-1.840	-0.075
H5	1.401	0.638	0.062
H6	-1.401	-0.638	0.062
H7	-1.303	1.869	-0.255
H8	1.303	-1.869	-0.255
H9	0.064	2.627	0.421
H10	-0.064	-2.627	0.421

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3442	1.4014	2.4371	1.0873	2.1120	2.0821	2.6716	2.0818	3.2642
C2	1.3442		2.4371	1.4014	2.1120	1.0873	2.6716	2.0821	3.2642	2.0818
N3	1.4014	2.4371		3.7333	2.0991	2.7091	1.0048	4.0507	1.0044	4.5013
N4	2.4371	1.4014	3.7333		2.7091	2.0991	4.0507	1.0048	4.5013	1.0044
H5	1.0873	2.1120	2.0991	2.7091		3.0786	2.9877	2.5293	2.4232	3.5964
H6	2.1120	1.0873	2.7091	2.0991	3.0786		2.5293	2.9877	3.5964	2.4232
H7	2.0821	2.6716	1.0048	4.0507	2.9877	2.5293		4.5572	1.7024	4.7126
H8	2.6716	2.0821	4.0507	1.0048	2.5293	2.9877	4.5572		4.7126	1.7024
H9	2.0818	3.2642	1.0044	4.5013	2.4232	3.5964	1.7024	4.7126		5.2553
H10	3.2642	2.0818	4.5013	1.0044	3.5964	2.4232	4.7126	1.7024	5.2553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.142	C1	C2	H6	120.230
C1	N3	H7	118.915	C1	N3	H9	118.913
C2	C1	N3	125.142	C2	C1	H5	120.230
C2	N4	H8	118.915	C2	N4	H10	118.913
N3	C1	H5	114.424	N4	C2	H6	114.424
H7	N3	H9	115.844	H8	N4	H10	115.844

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/6-31G

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	0.026
2	C	0.026
3	N	-0.807
4	N	-0.807
5	H	0.143
6	H	0.143
7	H	0.320
8	H	0.320
9	H	0.318
10	H	0.318

	x	y	z	Total
	0.000	0.000	1.437	1.437
CHELPG
AIM
ESP

	x	y	z
x	4.782	0.206	0.000
y	0.206	8.320	0.000
z	0.000	0.000	2.102

<r²>	97.781
(<r²>)^1/2	9.888

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)