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	hartrees
Energy at 0K	-189.135939
Energy at 298.15K
HF Energy	-188.918565
Nuclear repulsion energy	117.063745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3612	2.15
2	A	3510	3510	0.03
3	A	3173	3173	0.08
4	A	1748	1748	0.28
5	A	1633	1633	18.30
6	A	1331	1331	0.44
7	A	1278	1278	0.00
8	A	1033	1033	0.09
9	A	930	930	68.77
10	A	788	788	120.42
11	A	550	550	1.60
12	A	317	317	2.81
13	A	243	243	15.21
14	B	3611	3611	7.50
15	B	3509	3509	3.03
16	B	3177	3177	42.76
17	B	1641	1641	48.43
18	B	1387	1387	9.23
19	B	1173	1173	118.76
20	B	1123	1123	1.57
21	B	810	810	75.27
22	B	733	733	268.69
23	B	338	338	31.04
24	B	246	246	95.47

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	1.407	0.639	0.039
H6	-1.407	-0.639	0.039
H7	-1.328	1.792	-0.059
H8	1.328	-1.792	-0.059
H9	0.005	2.534	0.575
H10	-0.005	-2.534	0.575

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3458	1.4193	2.4553	1.0922	2.1185	2.0361	2.5935	2.0371	3.1904
C2	1.3458		2.4553	1.4193	2.1185	1.0922	2.5935	2.0361	3.1904	2.0371
N3	1.4193	2.4553		3.7667	2.1152	2.7277	1.0159	4.0020	1.0157	4.4549
N4	2.4553	1.4193	3.7667		2.7277	2.1152	4.0020	1.0159	4.4549	1.0157
H5	1.0922	2.1185	2.1152	2.7277		3.0904	2.9700	2.4336	2.4179	3.5137
H6	2.1185	1.0922	2.7277	2.1152	3.0904		2.4336	2.9700	3.5137	2.4179
H7	2.0361	2.5935	1.0159	4.0020	2.9700	2.4336		4.4606	1.6522	4.5679
H8	2.5935	2.0361	4.0020	1.0159	2.4336	2.9700	4.4606		4.5679	1.6522
H9	2.0371	3.1904	1.0157	4.4549	2.4179	3.5137	1.6522	4.5679		5.0682
H10	3.1904	2.0371	4.4549	1.0157	3.5137	2.4179	4.5679	1.6522	5.0682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.220	C1	C2	H6	120.318
C1	N3	H7	112.406	C1	N3	H9	112.510
C2	C1	N3	125.220	C2	C1	H5	120.318
C2	N4	H8	112.406	C2	N4	H10	112.510
N3	C1	H5	114.120	N4	C2	H6	114.120
H7	N3	H9	108.823	H8	N4	H10	108.823

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)