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	hartrees
Energy at 0K	-189.207462
Energy at 298.15K
HF Energy	-189.207462
Nuclear repulsion energy	117.664488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3467	1.50
2	A	3545	3369	2.85
3	A	3171	3014	0.07
4	A	1808	1718	0.23
5	A	1648	1567	25.86
6	A	1341	1274	0.62
7	A	1294	1230	0.00
8	A	1054	1002	0.27
9	A	956	909	56.53
10	A	830	789	161.47
11	A	563	535	1.32
12	A	344	327	0.02
13	A	264	251	19.93
14	B	3648	3467	4.75
15	B	3544	3368	1.04
16	B	3172	3015	47.96
17	B	1658	1576	57.78
18	B	1395	1326	10.70
19	B	1208	1149	95.21
20	B	1132	1075	0.63
21	B	834	793	117.34
22	B	755	718	336.31
23	B	352	335	49.08
24	B	266	253	94.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.589	0.030
C2	-0.313	-0.589	0.030
N3	-0.313	1.849	-0.107
N4	0.313	-1.849	-0.107
H5	1.401	0.630	0.032
H6	-1.401	-0.630	0.032
H7	-1.323	1.773	-0.060
H8	1.323	-1.773	-0.060
H9	-0.001	2.508	0.597
H10	0.001	-2.508	0.597

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3346	1.4130	2.4420	1.0890	2.1038	2.0213	2.5709	2.0255	3.1645
C2	1.3346		2.4420	1.4130	2.1038	1.0890	2.5709	2.0213	3.1645	2.0255
N3	1.4130	2.4420		3.7500	2.1076	2.7109	1.0139	3.9744	1.0141	4.4248
N4	2.4420	1.4130	3.7500		2.7109	2.1076	3.9744	1.0139	4.4248	1.0141
H5	1.0890	2.1038	2.1076	2.7109		3.0728	2.9555	2.4065	2.4113	3.4828
H6	2.1038	1.0890	2.7109	2.1076	3.0728		2.4065	2.9555	3.4828	2.4113
H7	2.0213	2.5709	1.0139	3.9744	2.9555	2.4065		4.4246	1.6488	4.5296
H8	2.5709	2.0213	3.9744	1.0139	2.4065	2.9555	4.4246		4.5296	1.6488
H9	2.0255	3.1645	1.0141	4.4248	2.4113	3.4828	1.6488	4.5296		5.0167
H10	3.1645	2.0255	4.4248	1.0141	3.4828	2.4113	4.5296	1.6488	5.0167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.408	C1	C2	H6	120.122
C1	N3	H7	111.732	C1	N3	H9	112.084
C2	C1	N3	125.408	C2	C1	H5	120.122
C2	N4	H8	111.732	C2	N4	H10	112.084
N3	C1	H5	114.159	N4	C2	H6	114.159
H7	N3	H9	108.782	H8	N4	H10	108.782

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/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	0.022
2	C	0.022
3	N	-0.660
4	N	-0.660
5	H	0.102
6	H	0.102
7	H	0.265
8	H	0.265
9	H	0.270
10	H	0.270

	x	y	z	Total
	0.000	0.000	2.409	2.409
CHELPG
AIM
ESP

	x	y	z
x	5.192	0.155	0.000
y	0.155	8.227	0.000
z	0.000	0.000	2.713

<r²>	97.350
(<r²>)^1/2	9.867

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)