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	hartrees
Energy at 0K	-188.082088
Energy at 298.15K
HF Energy	-188.082088
Nuclear repulsion energy	118.321426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3834	3444	1.14	112.54	0.73	0.85
2	A	3739	3359	4.29	224.72	0.05	0.09
3	A	3339	3000	0.07	145.24	0.31	0.47
4	A	1940	1743	0.00	53.79	0.21	0.35
5	A	1818	1634	32.34	7.85	0.75	0.86
6	A	1464	1315	0.78	18.50	0.39	0.56
7	A	1392	1251	0.04	18.59	0.63	0.78
8	A	1127	1013	0.12	9.24	0.45	0.62
9	A	1066	957	66.69	0.41	0.58	0.73
10	A	922	828	172.79	5.07	0.32	0.49
11	A	594	534	1.23	7.38	0.35	0.52
12	A	332	298	0.53	4.42	0.61	0.76
13	A	262	235	21.66	2.11	0.75	0.86
14	B	3833	3444	4.13	38.16	0.75	0.86
15	B	3738	3359	0.65	61.68	0.75	0.86
16	B	3340	3001	59.78	0.06	0.75	0.86
17	B	1830	1644	60.81	7.09	0.75	0.86
18	B	1525	1371	8.13	0.95	0.75	0.86
19	B	1247	1121	96.42	0.56	0.75	0.86
20	B	1233	1108	0.22	1.24	0.75	0.86
21	B	947	851	162.02	20.86	0.75	0.86
22	B	844	759	312.97	0.02	0.75	0.86
23	B	355	319	26.49	0.34	0.75	0.86
24	B	243	218	137.83	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.583	0.017
C2	-0.310	-0.583	0.017
N3	-0.310	1.847	-0.095
N4	0.310	-1.847	-0.095
H5	1.387	0.627	0.017
H6	-1.387	-0.627	0.017
H7	-1.308	1.784	-0.082
H8	1.308	-1.784	-0.082
H9	-0.018	2.474	0.628
H10	0.018	-2.474	0.628

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3197	1.4124	2.4316	1.0779	2.0840	2.0182	2.5707	2.0149	3.1310
C2	1.3197		2.4316	1.4124	2.0840	1.0779	2.5707	2.0182	3.1310	2.0149
N3	1.4124	2.4316		3.7448	2.0929	2.7002	1.0003	3.9753	1.0009	4.3931
N4	2.4316	1.4124	3.7448		2.7002	2.0929	3.9753	1.0003	4.3931	1.0009
H5	1.0779	2.0840	2.0929	2.7002		3.0444	2.9350	2.4147	2.3999	3.4446
H6	2.0840	1.0779	2.7002	2.0929	3.0444		2.4147	2.9350	3.4446	2.3999
H7	2.0182	2.5707	1.0003	3.9753	2.9350	2.4147		4.4252	1.6265	4.5166
H8	2.5707	2.0182	3.9753	1.0003	2.4147	2.9350	4.4252		4.5166	1.6265
H9	2.0149	3.1310	1.0009	4.3931	2.3999	3.4446	1.6265	4.5166		4.9487
H10	3.1310	2.0149	4.3931	1.0009	3.4446	2.3999	4.5166	1.6265	4.9487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.717	C1	C2	H6	120.388
C1	N3	H7	112.429	C1	N3	H9	112.097
C2	C1	N3	125.717	C2	C1	H5	120.388
C2	N4	H8	112.429	C2	N4	H10	112.097
N3	C1	H5	113.690	N4	C2	H6	113.690
H7	N3	H9	108.736	H8	N4	H10	108.736

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/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	-0.010
2	C	-0.010
3	N	-0.855
4	N	-0.855
5	H	0.172
6	H	0.172
7	H	0.347
8	H	0.347
9	H	0.345
10	H	0.345

	x	y	z	Total
	0.000	0.000	2.568	2.568
CHELPG
AIM
ESP

	x	y	z
x	4.812	0.371	0.000
y	0.371	7.541	0.000
z	0.000	0.000	2.581

<r²>	97.015
(<r²>)^1/2	9.850

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)