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	hartrees
Energy at 0K	-189.238482
Energy at 298.15K
HF Energy	-188.965756
Nuclear repulsion energy	117.793774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3621	2.69
2	A	3531	3531	0.11
3	A	3163	3163	0.08
4	A	1749	1749	0.24
5	A	1651	1651	17.55
6	A	1342	1342	0.54
7	A	1284	1284	0.00
8	A	1034	1034	0.19
9	A	938	938	68.93
10	A	781	781	129.61
11	A	553	553	1.92
12	A	326	326	3.07
13	A	243	243	15.41
14	B	3621	3621	10.20
15	B	3529	3529	4.77
16	B	3165	3165	40.76
17	B	1658	1658	49.81
18	B	1399	1399	8.94
19	B	1173	1173	123.94
20	B	1130	1130	1.45
21	B	822	822	61.15
22	B	727	727	282.10
23	B	341	341	31.94
24	B	247	247	96.85

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	1.791	-0.066
H8	1.320	-1.791	-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	2.0985	2.0298	2.5859	2.0307	3.1766
C2	1.3337		2.4396	1.4117	2.0985	1.0828	2.5859	2.0298	3.1766	2.0307
N3	1.4117	2.4396		3.7456	2.1010	2.7072	1.0096	3.9869	1.0094	4.4342
N4	2.4396	1.4117	3.7456		2.7072	2.1010	3.9869	1.0096	4.4342	1.0094
H5	1.0828	2.0985	2.1010	2.7072		3.0616	2.9539	2.4248	2.4044	3.4964
H6	2.0985	1.0828	2.7072	2.1010	3.0616		2.4248	2.9539	3.4964	2.4044
H7	2.0298	2.5859	1.0096	3.9869	2.9539	2.4248		4.4490	1.6474	4.5545
H8	2.5859	2.0298	3.9869	1.0096	2.4248	2.9539	4.4490		4.5545	1.6474
H9	2.0307	3.1766	1.0094	4.4342	2.4044	3.4964	1.6474	4.5545		5.0527
H10	3.1766	2.0307	4.4342	1.0094	3.4964	2.4044	4.5545	1.6474	5.0527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.371	C1	C2	H6	120.192
C1	N3	H7	112.872	C1	N3	H9	112.968
C2	C1	N3	125.371	C2	C1	H5	120.192
C2	N4	H8	112.872	C2	N4	H10	112.968
N3	C1	H5	114.113	N4	C2	H6	114.113
H7	N3	H9	109.368	H8	N4	H10	109.368

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)