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	hartrees
Energy at 0K	-188.040895
Energy at 298.15K
HF Energy	-188.040895
Nuclear repulsion energy	117.610098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3975	3577	8.00	92.45	0.71	0.83
2	A	3838	3454	1.98	225.20	0.09	0.16
3	A	3364	3027	0.02	141.57	0.30	0.46
4	A	1900	1710	1.48	85.65	0.22	0.36
5	A	1820	1638	9.56	9.70	0.75	0.86
6	A	1462	1316	0.41	29.12	0.49	0.65
7	A	1362	1226	0.95	9.27	0.74	0.85
8	A	1083	974	20.04	8.21	0.38	0.55
9	A	1058	952	84.14	4.60	0.28	0.44
10	A	601	540	26.82	10.52	0.27	0.42
11	A	481	433	504.18	3.62	0.07	0.13
12	A	336	302	45.28	2.25	0.72	0.83
13	A	232	209	31.24	2.78	0.75	0.86
14	B	3975	3577	25.98	29.71	0.75	0.86
15	B	3837	3453	27.67	31.10	0.75	0.86
16	B	3368	3031	77.15	0.74	0.75	0.86
17	B	1826	1643	131.56	1.72	0.75	0.86
18	B	1505	1354	4.15	0.33	0.75	0.86
19	B	1256	1130	223.75	0.09	0.75	0.86
20	B	1189	1070	11.36	5.62	0.75	0.86
21	B	940	846	28.07	22.54	0.75	0.86
22	B	431	388	283.04	1.23	0.75	0.86
23	B	336	303	4.02	0.66	0.75	0.86
24	B	108	97	226.04	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.588	0.036
C2	-0.315	-0.588	0.036
N3	-0.315	1.849	-0.067
N4	0.315	-1.849	-0.067
H5	1.390	0.630	0.045
H6	-1.390	-0.630	0.045
H7	-1.290	1.886	-0.261
H8	1.290	-1.886	-0.261
H9	0.049	2.603	0.469
H10	-0.049	-2.603	0.469

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3353	1.4135	2.4397	1.0753	2.0960	2.0853	2.6758	2.0774	3.2410
C2	1.3353		2.4397	1.4135	2.0960	1.0753	2.6758	2.0853	3.2410	2.0774
N3	1.4135	2.4397		3.7518	2.0993	2.7044	0.9941	4.0701	0.9938	4.4918
N4	2.4397	1.4135	3.7518		2.7044	2.0993	4.0701	0.9941	4.4918	0.9938
H5	1.0753	2.0960	2.0993	2.7044		3.0521	2.9751	2.5366	2.4223	3.5640
H6	2.0960	1.0753	2.7044	2.0993	3.0521		2.5366	2.9751	3.5640	2.4223
H7	2.0853	2.6758	0.9941	4.0701	2.9751	2.5366		4.5697	1.6851	4.7137
H8	2.6758	2.0853	4.0701	0.9941	2.5366	2.9751	4.5697		4.7137	1.6851
H9	2.0774	3.2410	0.9938	4.4918	2.4223	3.5640	1.6851	4.7137		5.2063
H10	3.2410	2.0774	4.4918	0.9938	3.5640	2.4223	4.7137	1.6851	5.2063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.113	C1	C2	H6	120.416
C1	N3	H7	118.987	C1	N3	H9	118.257
C2	C1	N3	125.113	C2	C1	H5	120.416
C2	N4	H8	118.987	C2	N4	H10	118.257
N3	C1	H5	114.334	N4	C2	H6	114.334
H7	N3	H9	115.913	H8	N4	H10	115.913

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/LANL2DZ

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	-0.043
2	C	-0.043
3	N	-0.785
4	N	-0.785
5	H	0.185
6	H	0.185
7	H	0.321
8	H	0.321
9	H	0.322
10	H	0.322

	x	y	z	Total
	0.000	0.000	1.653	1.653
CHELPG
AIM
ESP

	x	y	z
x	4.636	0.640	0.000
y	0.640	7.765	0.000
z	0.000	0.000	2.556

<r²>	98.703
(<r²>)^1/2	9.935

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)