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	hartrees
Energy at 0K	-189.191513
Energy at 298.15K
HF Energy	-189.191513
Nuclear repulsion energy	117.826344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3632	3448	0.64
2	A	3530	3351	1.92
3	A	3186	3024	0.12
4	A	1806	1714	0.19
5	A	1682	1597	28.10
6	A	1350	1282	0.61
7	A	1307	1241	0.01
8	A	1058	1004	0.90
9	A	951	903	56.43
10	A	843	800	160.68
11	A	557	528	1.62
12	A	338	321	0.02
13	A	257	244	20.41
14	B	3631	3447	1.94
15	B	3529	3350	0.06
16	B	3188	3026	55.40
17	B	1691	1605	51.54
18	B	1410	1338	11.01
19	B	1214	1153	91.16
20	B	1140	1082	0.96
21	B	820	778	192.12
22	B	765	726	275.93
23	B	351	333	56.95
24	B	254	241	97.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.591	0.036
C2	-0.311	-0.591	0.036
N3	-0.311	1.846	-0.111
N4	0.311	-1.846	-0.111
H5	1.398	0.637	0.037
H6	-1.398	-0.637	0.037
H7	-1.320	1.774	-0.064
H8	1.320	-1.774	-0.064
H9	-0.002	2.511	0.588
H10	0.002	-2.511	0.588

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3357	1.4079	2.4410	1.0880	2.1043	2.0178	2.5738	2.0222	3.1658
C2	1.3357		2.4410	1.4079	2.1043	1.0880	2.5738	2.0178	3.1658	2.0222
N3	1.4079	2.4410		3.7430	2.0982	2.7141	1.0131	3.9708	1.0136	4.4234
N4	2.4410	1.4079	3.7430		2.7141	2.0982	3.9708	1.0131	4.4234	1.0136
H5	1.0880	2.1043	2.0982	2.7141		3.0723	2.9484	2.4148	2.4036	3.4873
H6	2.1043	1.0880	2.7141	2.0982	3.0723		2.4148	2.9484	3.4873	2.4036
H7	2.0178	2.5738	1.0131	3.9708	2.9484	2.4148		4.4236	1.6448	4.5322
H8	2.5738	2.0178	3.9708	1.0131	2.4148	2.9484	4.4236		4.5322	1.6448
H9	2.0222	3.1658	1.0136	4.4234	2.4036	3.4873	1.6448	4.5322		5.0220
H10	3.1658	2.0222	4.4234	1.0136	3.4873	2.4036	4.5322	1.6448	5.0220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.660	C1	C2	H6	120.165
C1	N3	H7	111.883	C1	N3	H9	112.226
C2	C1	N3	125.660	C2	C1	H5	120.165
C2	N4	H8	111.883	C2	N4	H10	112.226
N3	C1	H5	113.808	N4	C2	H6	113.808
H7	N3	H9	108.500	H8	N4	H10	108.500

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/6-31G*

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	-0.026
2	C	-0.026
3	N	-0.754
4	N	-0.754
5	H	0.139
6	H	0.139
7	H	0.320
8	H	0.320
9	H	0.321
10	H	0.321

	x	y	z	Total
	0.000	0.000	2.408	2.408
CHELPG
AIM
ESP

	x	y	z
x	5.079	0.110	0.000
y	0.110	8.331	0.000
z	0.000	0.000	2.648

<r²>	97.060
(<r²>)^1/2	9.852

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)