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	hartrees
Energy at 0K	-189.134210
Energy at 298.15K
HF Energy	-188.917555
Nuclear repulsion energy	117.046072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3614	3478	2.31
2	A	3512	3380	0.05
3	A	3174	3054	0.09
4	A	1749	1683	0.33
5	A	1631	1570	17.96
6	A	1331	1280	0.55
7	A	1278	1230	0.00
8	A	1033	994	0.11
9	A	928	893	70.48
10	A	786	756	121.40
11	A	550	529	1.78
12	A	320	308	2.63
13	A	244	235	15.81
14	B	3614	3478	7.51
15	B	3511	3379	3.18
16	B	3178	3058	42.95
17	B	1639	1578	48.26
18	B	1386	1334	9.27
19	B	1174	1129	119.76
20	B	1122	1079	1.63
21	B	806	775	80.51
22	B	731	704	264.18
23	B	340	327	32.13
24	B	247	238	97.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	0.594	0.037
C2	-0.316	-0.594	0.037
N3	-0.316	1.857	-0.111
N4	0.316	-1.857	-0.111
H5	1.408	0.639	0.040
H6	-1.408	-0.639	0.040
H7	-1.328	1.793	-0.064
H8	1.328	-1.793	-0.064
H9	0.004	2.535	0.575
H10	-0.004	-2.535	0.575

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3459	1.4192	2.4557	1.0930	2.1191	2.0371	2.5954	2.0375	3.1912
C2	1.3459		2.4557	1.4192	2.1191	1.0930	2.5954	2.0371	3.1912	2.0375
N3	1.4192	2.4557		3.7670	2.1155	2.7285	1.0160	4.0034	1.0159	4.4559
N4	2.4557	1.4192	3.7670		2.7285	2.1155	4.0034	1.0160	4.4559	1.0159
H5	1.0930	2.1191	2.1155	2.7285		3.0919	2.9713	2.4356	2.4189	3.5147
H6	2.1191	1.0930	2.7285	2.1155	3.0919		2.4356	2.9713	3.5147	2.4189
H7	2.0371	2.5954	1.0160	4.0034	2.9713	2.4356		4.4631	1.6534	4.5709
H8	2.5954	2.0371	4.0034	1.0160	2.4356	2.9713	4.4631		4.5709	1.6534
H9	2.0375	3.1912	1.0159	4.4559	2.4189	3.5147	1.6534	4.5709		5.0698
H10	3.1912	2.0375	4.4559	1.0159	3.5147	2.4189	4.5709	1.6534	5.0698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.255	C1	C2	H6	120.302
C1	N3	H7	112.496	C1	N3	H9	112.540
C2	C1	N3	125.255	C2	C1	H5	120.302
C2	N4	H8	112.496	C2	N4	H10	112.540
N3	C1	H5	114.092	N4	C2	H6	114.092
H7	N3	H9	108.929	H8	N4	H10	108.929

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)