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	hartrees
Energy at 0K	-189.237207
Energy at 298.15K
HF Energy	-189.237207
Nuclear repulsion energy	116.223130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3500	3481	1.14
2	A	3398	3380	0.06
3	A	3070	3054	0.06
4	A	1679	1670	0.47
5	A	1604	1596	24.38
6	A	1297	1290	0.68
7	A	1234	1228	0.03
8	A	997	992	0.34
9	A	884	880	77.29
10	A	757	753	161.32
11	A	534	531	1.98
12	A	318	316	2.38
13	A	237	236	20.36
14	B	3499	3480	2.87
15	B	3396	3378	1.37
16	B	3075	3059	56.37
17	B	1611	1603	54.98
18	B	1350	1343	7.95
19	B	1126	1120	118.39
20	B	1091	1085	5.10
21	B	752	748	78.14
22	B	703	700	322.19
23	B	339	337	39.65
24	B	249	248	97.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	0.599	0.050
C2	-0.316	-0.599	0.050
N3	-0.316	1.869	-0.117
N4	0.316	-1.869	-0.117
H5	1.411	0.651	0.051
H6	-1.411	-0.651	0.051
H7	-1.338	1.815	-0.083
H8	1.338	-1.815	-0.083
H9	0.008	2.571	0.553
H10	-0.008	-2.571	0.553

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3548	1.4286	2.4736	1.0964	2.1327	2.0573	2.6247	2.0588	3.2264
C2	1.3548		2.4736	1.4286	2.1327	1.0964	2.6247	2.0573	3.2264	2.0588
N3	1.4286	2.4736		3.7909	2.1203	2.7531	1.0235	4.0384	1.0238	4.5012
N4	2.4736	1.4286	3.7909		2.7531	2.1203	4.0384	1.0235	4.5012	1.0238
H5	1.0964	2.1327	2.1203	2.7531		3.1090	2.9884	2.4712	2.4308	3.5571
H6	2.1327	1.0964	2.7531	2.1203	3.1090		2.4712	2.9884	3.5571	2.4308
H7	2.0573	2.6247	1.0235	4.0384	2.9884	2.4712		4.5096	1.6697	4.6276
H8	2.6247	2.0573	4.0384	1.0235	2.4712	2.9884	4.5096		4.6276	1.6697
H9	2.0588	3.2264	1.0238	4.5012	2.4308	3.5571	1.6697	4.6276		5.1429
H10	3.2264	2.0588	4.5012	1.0238	3.5571	2.4308	4.6276	1.6697	5.1429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.399	C1	C2	H6	120.575
C1	N3	H7	113.035	C1	N3	H9	113.139
C2	C1	N3	125.399	C2	C1	H5	120.575
C2	N4	H8	113.035	C2	N4	H10	113.139
N3	C1	H5	113.576	N4	C2	H6	113.576
H7	N3	H9	109.285	H8	N4	H10	109.285

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/6-31+G**

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	-0.092
2	C	-0.092
3	N	-0.553
4	N	-0.553
5	H	0.098
6	H	0.098
7	H	0.270
8	H	0.270
9	H	0.277
10	H	0.277

	x	y	z	Total
	0.000	0.000	2.124	2.124
CHELPG
AIM
ESP

	x	y	z
x	6.050	0.117	0.000
y	0.117	10.189	0.000
z	0.000	0.000	5.042

<r²>	100.414
(<r²>)^1/2	10.021

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)