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	hartrees
Energy at 0K	-188.002916
Energy at 298.15K
HF Energy	-188.002916
Nuclear repulsion energy	116.283756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3469	3308	0.31
2	A	3354	3198	0.20
3	A	3072	2930	0.16
4	A	1689	1611	0.22
5	A	1655	1578	15.38
6	A	1313	1252	1.94
7	A	1260	1201	0.02
8	A	1003	957	0.95
9	A	903	861	80.55
10	A	605	577	274.35
11	A	546	521	9.35
12	A	360	344	0.76
13	A	245	234	26.91
14	B	3468	3307	1.73
15	B	3351	3195	0.30
16	B	3079	2935	54.25
17	B	1658	1581	52.50
18	B	1366	1302	3.17
19	B	1166	1112	79.73
20	B	1111	1059	3.47
21	B	759	723	16.53
22	B	532	507	391.80
23	B	345	329	57.82
24	B	224	213	184.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.600	0.052
C2	-0.315	-0.600	0.052
N3	-0.315	1.863	-0.106
N4	0.315	-1.863	-0.106
H5	1.411	0.640	0.063
H6	-1.411	-0.640	0.063
H7	-1.341	1.829	-0.167
H8	1.341	-1.829	-0.167
H9	0.016	2.602	0.529
H10	-0.016	-2.602	0.529

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3553	1.4200	2.4682	1.0974	2.1256	2.0736	2.6464	2.0795	3.2545
C2	1.3553		2.4682	1.4200	2.1256	1.0974	2.6464	2.0736	3.2545	2.0795
N3	1.4200	2.4682		3.7789	2.1223	2.7381	1.0282	4.0471	1.0289	4.5200
N4	2.4682	1.4200	3.7789		2.7381	2.1223	4.0471	1.0282	4.5200	1.0289
H5	1.0974	2.1256	2.1223	2.7381		3.0997	3.0069	2.4814	2.4521	3.5732
H6	2.1256	1.0974	2.7381	2.1223	3.0997		2.4814	3.0069	3.5732	2.4521
H7	2.0736	2.6464	1.0282	4.0471	3.0069	2.4814		4.5362	1.7097	4.6775
H8	2.6464	2.0736	4.0471	1.0282	2.4814	3.0069	4.5362		4.6775	1.7097
H9	2.0795	3.2545	1.0289	4.5200	2.4521	3.5732	1.7097	4.6775		5.2046
H10	3.2545	2.0795	4.5200	1.0289	3.5732	2.4521	4.6775	1.7097	5.2046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.566	C1	C2	H6	119.769
C1	N3	H7	114.835	C1	N3	H9	115.318
C2	C1	N3	125.566	C2	C1	H5	119.769
C2	N4	H8	114.835	C2	N4	H10	115.318
N3	C1	H5	114.313	N4	C2	H6	114.313
H7	N3	H9	112.431	H8	N4	H10	112.431

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBE/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	-0.046
2	C	-0.046
3	N	-0.699
4	N	-0.699
5	H	0.180
6	H	0.180
7	H	0.283
8	H	0.283
9	H	0.282
10	H	0.282

	x	y	z	Total
	0.000	0.000	2.092	2.092
CHELPG
AIM
ESP

	x	y	z
x	4.837	0.011	0.000
y	0.011	8.629	0.000
z	0.000	0.000	1.878

<r²>	99.186
(<r²>)^1/2	9.959

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)