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	hartrees
Energy at 0K	-188.109694
Energy at 298.15K
HF Energy	-188.109694
Nuclear repulsion energy	118.304697

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	3864	3494	3.90	82.02	0.75	0.86
2	A	3763	3403	3.12	196.13	0.04	0.08
3	A	3322	3004	0.01	150.59	0.36	0.53
4	A	1916	1732	0.47	90.34	0.11	0.20
5	A	1789	1618	29.31	9.83	0.52	0.68
6	A	1453	1314	0.71	29.03	0.27	0.42
7	A	1374	1242	0.00	15.42	0.63	0.77
8	A	1110	1004	1.27	12.22	0.17	0.29
9	A	1048	948	88.08	0.82	0.31	0.48
10	A	857	775	179.75	1.09	0.66	0.79
11	A	591	534	2.58	7.80	0.21	0.35
12	A	326	295	5.86	1.34	0.35	0.52
13	A	251	227	17.83	0.25	0.71	0.83
14	B	3864	3494	15.26	29.19	0.75	0.86
15	B	3762	3402	9.07	45.15	0.75	0.86
16	B	3324	3005	54.47	0.02	0.75	0.86
17	B	1800	1628	81.76	2.07	0.75	0.86
18	B	1509	1365	6.27	0.40	0.75	0.86
19	B	1236	1118	141.94	0.15	0.75	0.86
20	B	1215	1099	1.33	0.96	0.75	0.86
21	B	935	846	79.76	20.90	0.75	0.86
22	B	794	718	322.41	0.16	0.75	0.86
23	B	349	316	17.09	0.13	0.75	0.86
24	B	229	207	144.62	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.583	0.020
C2	-0.311	-0.583	0.020
N3	-0.311	1.845	-0.093
N4	0.311	-1.845	-0.093
H5	1.388	0.627	0.021
H6	-1.388	-0.627	0.021
H7	-1.308	1.797	-0.094
H8	1.308	-1.797	-0.094
H9	-0.006	2.492	0.603
H10	0.006	-2.492	0.603

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3222	1.4108	2.4307	1.0782	2.0860	2.0266	2.5832	2.0210	3.1454
C2	1.3222		2.4307	1.4108	2.0860	1.0782	2.5832	2.0266	3.1454	2.0210
N3	1.4108	2.4307		3.7414	2.0938	2.6983	0.9984	3.9852	0.9988	4.4040
N4	2.4307	1.4108	3.7414		2.6983	2.0938	3.9852	0.9984	4.4040	0.9988
H5	1.0782	2.0860	2.0938	2.6983		3.0463	2.9417	2.4275	2.4007	3.4611
H6	2.0860	1.0782	2.6983	2.0938	3.0463		2.4275	2.9417	3.4611	2.4007
H7	2.0266	2.5832	0.9984	3.9852	2.9417	2.4275		4.4452	1.6331	4.5399
H8	2.5832	2.0266	3.9852	0.9984	2.4275	2.9417	4.4452		4.5399	1.6331
H9	2.0210	3.1454	0.9988	4.4040	2.4007	3.4611	1.6331	4.5399		4.9850
H10	3.1454	2.0210	4.4040	0.9988	3.4611	2.4007	4.5399	1.6331	4.9850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.562	C1	C2	H6	120.356
C1	N3	H7	113.426	C1	N3	H9	112.897
C2	C1	N3	125.562	C2	C1	H5	120.356
C2	N4	H8	113.426	C2	N4	H10	112.897
N3	C1	H5	113.869	N4	C2	H6	113.869
H7	N3	H9	109.710	H8	N4	H10	109.710

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/6-31+G**

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	-0.063
2	C	-0.063
3	N	-0.651
4	N	-0.651
5	H	0.135
6	H	0.135
7	H	0.288
8	H	0.288
9	H	0.292
10	H	0.292

	x	y	z	Total
	0.000	0.000	2.358	2.358
CHELPG
AIM
ESP

	x	y	z
x	5.266	0.528	0.000
y	0.528	8.336	0.000
z	0.000	0.000	4.247

<r²>	97.466
(<r²>)^1/2	9.872

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)