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	hartrees
Energy at 0K	-189.379536
Energy at 298.15K
HF Energy	-189.379536
Nuclear repulsion energy	117.511646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3576	3576	1.28
2	A	3484	3484	0.00
3	A	3134	3134	0.06
4	A	1737	1737	0.32
5	A	1645	1645	18.30
6	A	1335	1335	0.46
7	A	1276	1276	0.01
8	A	1024	1024	0.31
9	A	934	934	69.32
10	A	790	790	120.94
11	A	544	544	1.69
12	A	331	331	2.81
13	A	244	244	15.31
14	B	3575	3575	4.76
15	B	3482	3482	1.48
16	B	3138	3138	46.08
17	B	1652	1652	43.93
18	B	1391	1391	9.97
19	B	1161	1161	116.16
20	B	1118	1118	2.48
21	B	803	803	69.51
22	B	734	734	300.81
23	B	345	345	43.28
24	B	246	246	80.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.040
C2	-0.313	-0.590	0.040
N3	-0.313	1.850	-0.112
N4	0.313	-1.850	-0.112
H5	1.399	0.638	0.041
H6	-1.399	-0.638	0.041
H7	-1.323	1.794	-0.048
H8	1.323	-1.794	-0.048
H9	0.023	2.537	0.552
H10	-0.023	-2.537	0.552

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3367	1.4146	2.4449	1.0865	2.1068	2.0325	2.5904	2.0337	3.1870
C2	1.3367		2.4449	1.4146	2.1068	1.0865	2.5904	2.0325	3.1870	2.0337
N3	1.4146	2.4449		3.7520	2.1029	2.7183	1.0131	3.9941	1.0134	4.4463
N4	2.4449	1.4146	3.7520		2.7183	2.1029	3.9941	1.0131	4.4463	1.0134
H5	1.0865	2.1068	2.1029	2.7183		3.0743	2.9579	2.4341	2.4002	3.5159
H6	2.1068	1.0865	2.7183	2.1029	3.0743		2.4341	2.9579	3.5159	2.4002
H7	2.0325	2.5904	1.0131	3.9941	2.9579	2.4341		4.4570	1.6503	4.5611
H8	2.5904	2.0325	3.9941	1.0131	2.4341	2.9579	4.4570		4.5611	1.6503
H9	2.0337	3.1870	1.0134	4.4463	2.4002	3.5159	1.6503	4.5611		5.0745
H10	3.1870	2.0337	4.4463	1.0134	3.5159	2.4002	4.5611	1.6503	5.0745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.373	C1	C2	H6	120.439
C1	N3	H7	112.644	C1	N3	H9	112.728
C2	C1	N3	125.373	C2	C1	H5	120.439
C2	N4	H8	112.644	C2	N4	H10	112.728
N3	C1	H5	113.806	N4	C2	H6	113.806
H7	N3	H9	109.049	H8	N4	H10	109.049

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/daug-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	0.027
2	C	0.027
3	N	-0.457
4	N	-0.457
5	H	0.415
6	H	0.415
7	H	-0.046
8	H	-0.046
9	H	0.061
10	H	0.061

	x	y	z	Total
	0.000	0.000	1.977	1.977
CHELPG
AIM
ESP

	x	y	z
x	6.418	-0.078	0.000
y	-0.078	10.425	0.000
z	0.000	0.000	5.343

<r²>	98.183
(<r²>)^1/2	9.909

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)