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	hartrees
Energy at 0K	-189.137674
Energy at 298.15K
HF Energy	-189.137674
Nuclear repulsion energy	117.104461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3512	3489	1.50
2	A	3419	3396	0.02
3	A	3063	3043	0.09
4	A	1692	1681	0.55
5	A	1587	1577	15.86
6	A	1288	1279	0.46
7	A	1244	1236	0.01
8	A	1003	997	0.45
9	A	886	880	68.18
10	A	752	747	122.50
11	A	538	534	1.98
12	A	327	325	2.98
13	A	237	235	16.35
14	B	3511	3488	5.52
15	B	3416	3394	1.36
16	B	3068	3048	45.96
17	B	1593	1583	45.20
18	B	1344	1336	10.69
19	B	1152	1144	118.01
20	B	1088	1081	1.84
21	B	768	763	59.19
22	B	699	694	293.18
23	B	343	341	39.60
24	B	247	245	81.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.595	0.045
C2	-0.313	-0.595	0.045
N3	-0.313	1.853	-0.115
N4	0.313	-1.853	-0.115
H5	1.407	0.640	0.048
H6	-1.407	-0.640	0.048
H7	-1.329	1.798	-0.057
H8	1.329	-1.798	-0.057
H9	0.023	2.553	0.545
H10	-0.023	-2.553	0.545

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3448	1.4148	2.4536	1.0944	2.1176	2.0388	2.6021	2.0418	3.2054
C2	1.3448		2.4536	1.4148	2.1176	1.0944	2.6021	2.0388	3.2054	2.0418
N3	1.4148	2.4536		3.7592	2.1110	2.7277	1.0195	4.0045	1.0194	4.4653
N4	2.4536	1.4148	3.7592		2.7277	2.1110	4.0045	1.0195	4.4653	1.0194
H5	1.0944	2.1176	2.1110	2.7277		3.0911	2.9730	2.4420	2.4128	3.5341
H6	2.1176	1.0944	2.7277	2.1110	3.0911		2.4420	2.9730	3.5341	2.4128
H7	2.0388	2.6021	1.0195	4.0045	2.9730	2.4420		4.4727	1.6616	4.5831
H8	2.6021	2.0388	4.0045	1.0195	2.4420	2.9730	4.4727		4.5831	1.6616
H9	2.0418	3.2054	1.0194	4.4653	2.4128	3.5341	1.6616	4.5831		5.1068
H10	3.2054	2.0418	4.4653	1.0194	3.5341	2.4128	4.5831	1.6616	5.1068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.506	C1	C2	H6	120.134
C1	N3	H7	112.758	C1	N3	H9	113.025
C2	C1	N3	125.506	C2	C1	H5	120.134
C2	N4	H8	112.758	C2	N4	H10	113.025
N3	C1	H5	113.946	N4	C2	H6	113.946
H7	N3	H9	109.171	H8	N4	H10	109.171

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBE/aug-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	-0.161
2	C	-0.161
3	N	-0.326
4	N	-0.326
5	H	0.374
6	H	0.374
7	H	0.064
8	H	0.064
9	H	0.048
10	H	0.048

	x	y	z	Total
	0.000	0.000	1.899	1.899
CHELPG
AIM
ESP

	x	y	z
x	6.691	-0.149	0.000
y	-0.149	10.918	0.000
z	0.000	0.000	5.558

<r²>	98.850
(<r²>)^1/2	9.942

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)