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	hartrees
Energy at 0K	-189.238488
Energy at 298.15K
HF Energy	-188.965761
Nuclear repulsion energy	117.793807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	3621	3621	2.70
2	?_a	3620	3620	10.18
3	?_a	3531	3531	0.11
4	?_a	3529	3529	4.78
5	?_a	3166	3166	40.77
6	?_a	3164	3164	0.09
7	?_a	342	342	32.41
8	?_a	326	326	2.95
9	?_a	249	249	96.17
10	?_a	244	244	15.37
11	A	1749	1749	0.24
12	A	1651	1651	17.53
13	A	1342	1342	0.54
14	A	1284	1284	0.00
15	A	1035	1035	0.18
16	A	940	940	68.80
17	A	782	782	129.66
18	A	553	553	1.90
19	B	1658	1658	49.80
20	B	1399	1399	8.94
21	B	1173	1173	123.68
22	B	1130	1130	1.45
23	B	823	823	60.76
24	B	729	729	282.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.589	0.035
C2	-0.313	-0.589	0.035
N3	-0.313	1.846	-0.107
N4	0.313	-1.846	-0.107
H5	1.395	0.631	0.038
H6	-1.395	-0.631	0.038
H7	-1.320	1.790	-0.066
H8	1.320	-1.790	-0.066
H9	0.012	2.526	0.565
H10	-0.012	-2.526	0.565

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3337	1.4117	2.4396	1.0828	2.0986	2.0297	2.5856	2.0307	3.1765
C2	1.3337		2.4396	1.4117	2.0986	1.0828	2.5856	2.0297	3.1765	2.0307
N3	1.4117	2.4396		3.7456	2.1011	2.7072	1.0096	3.9867	1.0094	4.4341
N4	2.4396	1.4117	3.7456		2.7072	2.1011	3.9867	1.0096	4.4341	1.0094
H5	1.0828	2.0986	2.1011	2.7072		3.0617	2.9538	2.4246	2.4045	3.4963
H6	2.0986	1.0828	2.7072	2.1011	3.0617		2.4246	2.9538	3.4963	2.4045
H7	2.0297	2.5856	1.0096	3.9867	2.9538	2.4246		4.4487	1.6473	4.5541
H8	2.5856	2.0297	3.9867	1.0096	2.4246	2.9538	4.4487		4.5541	1.6473
H9	2.0307	3.1765	1.0094	4.4341	2.4045	3.4963	1.6473	4.5541		5.0524
H10	3.1765	2.0307	4.4341	1.0094	3.4963	2.4045	4.5541	1.6473	5.0524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.364	C1	C2	H6	120.196
C1	N3	H7	112.860	C1	N3	H9	112.964
C2	C1	N3	125.364	C2	C1	H5	120.196
C2	N4	H8	112.860	C2	N4	H10	112.964
N3	C1	H5	114.116	N4	C2	H6	114.116
H7	N3	H9	109.361	H8	N4	H10	109.361

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)