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	hartrees
Energy at 0K	-189.278435
Energy at 298.15K
HF Energy	-189.278435
Nuclear repulsion energy	118.219915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3645	2.39
2	A	3551	3551	0.22
3	A	3163	3163	0.06
4	A	1775	1775	0.58
5	A	1642	1642	17.93
6	A	1335	1335	0.41
7	A	1285	1285	0.01
8	A	1034	1034	0.08
9	A	940	940	65.88
10	A	769	769	136.43
11	A	551	551	2.63
12	A	329	329	4.23
13	A	241	241	14.55
14	B	3644	3644	10.42
15	B	3549	3549	4.93
16	B	3167	3167	45.34
17	B	1649	1649	55.24
18	B	1390	1390	12.02
19	B	1189	1189	136.63
20	B	1120	1120	1.35
21	B	827	827	47.65
22	B	712	712	298.10
23	B	341	341	37.11
24	B	242	242	92.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.587	0.034
C2	-0.311	-0.587	0.034
N3	-0.311	1.838	-0.106
N4	0.311	-1.838	-0.106
H5	1.394	0.628	0.035
H6	-1.394	-0.628	0.035
H7	-1.316	1.787	-0.048
H8	1.316	-1.787	-0.048
H9	0.029	2.525	0.548
H10	-0.029	-2.525	0.548

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3290	1.4040	2.4296	1.0834	2.0936	2.0229	2.5795	2.0247	3.1729
C2	1.3290		2.4296	1.4040	2.0936	1.0834	2.5795	2.0229	3.1729	2.0247
N3	1.4040	2.4296		3.7288	2.0951	2.6974	1.0075	3.9740	1.0075	4.4212
N4	2.4296	1.4040	3.7288		2.6974	2.0951	3.9740	1.0075	4.4212	1.0075
H5	1.0834	2.0936	2.0951	2.6974		3.0574	2.9478	2.4182	2.3924	3.4973
H6	2.0936	1.0834	2.6974	2.0951	3.0574		2.4182	2.9478	3.4973	2.3924
H7	2.0229	2.5795	1.0075	3.9740	2.9478	2.4182		4.4383	1.6458	4.5395
H8	2.5795	2.0229	3.9740	1.0075	2.4182	2.9478	4.4383		4.5395	1.6458
H9	2.0247	3.1729	1.0075	4.4212	2.3924	3.4973	1.6458	4.5395		5.0506
H10	3.1729	2.0247	4.4212	1.0075	3.4973	2.3924	4.5395	1.6458	5.0506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.461	C1	C2	H6	120.074
C1	N3	H7	113.005	C1	N3	H9	113.170
C2	C1	N3	125.461	C2	C1	H5	120.074
C2	N4	H8	113.005	C2	N4	H10	113.170
N3	C1	H5	114.142	N4	C2	H6	114.142
H7	N3	H9	109.521	H8	N4	H10	109.521

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/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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Number	Element	Mulliken
1	C	-0.482
2	C	-0.482
3	N	-0.532
4	N	-0.532
5	H	0.745
6	H	0.745
7	H	0.066
8	H	0.066
9	H	0.204
10	H	0.204

	x	y	z	Total
	0.000	0.000	1.979	1.979
CHELPG
AIM
ESP

	x	y	z
x	6.283	-0.032	0.000
y	-0.032	10.081	0.000
z	0.000	0.000	5.216

<r²>	97.144
(<r²>)^1/2	9.856

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)