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	hartrees
Energy at 0K	-189.379305
Energy at 298.15K
HF Energy	-189.379305
Nuclear repulsion energy	117.511583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3452	1.27
2	A	3484	3363	0.00
3	A	3135	3026	0.05
4	A	1737	1676	0.32
5	A	1645	1588	18.10
6	A	1335	1288	0.45
7	A	1276	1231	0.01
8	A	1024	988	0.32
9	A	934	901	69.45
10	A	790	762	120.84
11	A	544	525	1.71
12	A	330	319	2.84
13	A	244	235	15.32
14	B	3576	3452	4.77
15	B	3483	3361	1.45
16	B	3138	3029	46.15
17	B	1652	1594	43.92
18	B	1391	1342	10.01
19	B	1161	1121	116.36
20	B	1118	1079	2.50
21	B	802	774	71.71
22	B	734	708	299.06
23	B	345	333	43.00
24	B	246	237	80.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.040
C2	-0.313	-0.590	0.040
N3	-0.313	1.850	-0.112
N4	0.313	-1.850	-0.112
H5	1.399	0.638	0.041
H6	-1.399	-0.638	0.041
H7	-1.323	1.794	-0.047
H8	1.323	-1.794	-0.047
H9	0.023	2.537	0.552
H10	-0.023	-2.537	0.552

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3367	1.4147	2.4449	1.0864	2.1068	2.0325	2.5904	2.0336	3.1870
C2	1.3367		2.4449	1.4147	2.1068	1.0864	2.5904	2.0325	3.1870	2.0336
N3	1.4147	2.4449		3.7520	2.1029	2.7183	1.0131	3.9942	1.0134	4.4463
N4	2.4449	1.4147	3.7520		2.7183	2.1029	3.9942	1.0131	4.4463	1.0134
H5	1.0864	2.1068	2.1029	2.7183		3.0742	2.9578	2.4342	2.4000	3.5161
H6	2.1068	1.0864	2.7183	2.1029	3.0742		2.4342	2.9578	3.5161	2.4000
H7	2.0325	2.5904	1.0131	3.9942	2.9578	2.4342		4.4571	1.6503	4.5610
H8	2.5904	2.0325	3.9942	1.0131	2.4342	2.9578	4.4571		4.5610	1.6503
H9	2.0336	3.1870	1.0134	4.4463	2.4000	3.5161	1.6503	4.5610		5.0745
H10	3.1870	2.0336	4.4463	1.0134	3.5161	2.4000	4.5610	1.6503	5.0745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.375	C1	C2	H6	120.441
C1	N3	H7	112.643	C1	N3	H9	112.722
C2	C1	N3	125.375	C2	C1	H5	120.441
C2	N4	H8	112.643	C2	N4	H10	112.722
N3	C1	H5	113.803	N4	C2	H6	113.803
H7	N3	H9	109.049	H8	N4	H10	109.049

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.031
2	C	0.031
3	N	-0.372
4	N	-0.372
5	H	0.283
6	H	0.283
7	H	0.048
8	H	0.048
9	H	0.010
10	H	0.010

	x	y	z	Total
	0.000	0.000	1.975	1.975
CHELPG
AIM
ESP

	x	y	z
x	6.394	-0.060	0.000
y	-0.060	10.378	0.000
z	0.000	0.000	5.313

<r²>	98.181
(<r²>)^1/2	9.909

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)