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	hartrees
Energy at 0K	-189.237272
Energy at 298.15K
HF Energy	-188.965566
Nuclear repulsion energy	117.797568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	3531	3388	0.11
2	?_a	3530	3387	4.78
3	?_a	3170	3041	40.69
4	?_a	3169	3041	0.08
5	A	3623	3476	2.69
6	A	1750	1679	0.23
7	A	1652	1585	17.48
8	A	1343	1288	0.53
9	A	1284	1232	0.00
10	A	1035	993	0.23
11	A	940	902	69.67
12	A	781	750	129.03
13	A	553	531	1.91
14	A	325	312	2.98
15	A	245	235	15.39
16	B	3622	3475	10.27
17	B	1659	1592	49.65
18	B	1398	1342	8.96
19	B	1173	1125	123.79
20	B	1130	1084	1.49
21	B	821	788	61.03
22	B	729	699	283.31
23	B	341	327	31.75
24	B	250	240	96.60

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	-0.065
H8	1.320	-1.790	-0.065
H9	0.013	2.526	0.564
H10	-0.013	-2.526	0.564

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3336	1.4118	2.4394	1.0825	2.0985	2.0298	2.5855	2.0306	3.1765
C2	1.3336		2.4394	1.4118	2.0985	1.0825	2.5855	2.0298	3.1765	2.0306
N3	1.4118	2.4394		3.7454	2.1007	2.7072	1.0096	3.9866	1.0093	4.4341
N4	2.4394	1.4118	3.7454		2.7072	2.1007	3.9866	1.0096	4.4341	1.0093
H5	1.0825	2.0985	2.1007	2.7072		3.0615	2.9536	2.4247	2.4040	3.4967
H6	2.0985	1.0825	2.7072	2.1007	3.0615		2.4247	2.9536	3.4967	2.4040
H7	2.0298	2.5855	1.0096	3.9866	2.9536	2.4247		4.4486	1.6475	4.5540
H8	2.5855	2.0298	3.9866	1.0096	2.4247	2.9536	4.4486		4.5540	1.6475
H9	2.0306	3.1765	1.0093	4.4341	2.4040	3.4967	1.6475	4.5540		5.0527
H10	3.1765	2.0306	4.4341	1.0093	3.4967	2.4040	4.5540	1.6475	5.0527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.353	C1	C2	H6	120.219
C1	N3	H7	112.862	C1	N3	H9	112.957
C2	C1	N3	125.353	C2	C1	H5	120.219
C2	N4	H8	112.862	C2	N4	H10	112.957
N3	C1	H5	114.100	N4	C2	H6	114.100
H7	N3	H9	109.378	H8	N4	H10	109.378

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)