%chk=000180449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180449

0 1
O -0.613226 1.762466 -0.131098
O -4.092425 -1.074872 -0.398098
O 0.589797 3.568920 0.175173
C 0.396869 -0.498252 0.249124
C 0.362936 -1.911519 -0.377417
C 1.762242 0.178046 0.103974
C 3.001626 -0.676106 0.266288
C -0.659895 0.360314 -0.525941
C 1.588330 -2.752351 -0.016935
C 2.866419 -2.033259 -0.450588
C 0.063883 -0.547728 1.746124
C 1.818181 1.512730 -0.037225
C 4.288306 0.018443 -0.191063
C -2.072675 -0.041521 -0.274013
C 0.630800 2.375436 0.000683
C -2.955884 0.559352 0.702590
C -2.799554 -1.014605 -0.918546
C -4.156042 -0.087359 0.595469
H 0.292275 -1.832420 -1.480835
H -0.558927 -2.433129 -0.050459
H 3.087405 -0.871711 1.372494
H -0.429214 0.355272 -1.619393
H 1.522364 -3.742699 -0.507850
H 1.609315 -2.957974 1.070985
H 3.751457 -2.660234 -0.230842
H 2.869188 -1.883521 -1.547719
H -0.902210 -1.038116 1.924097
H 0.820950 -1.095177 2.315997
H -0.014970 0.464038 2.167415
H 2.754642 2.065918 -0.137174
H 4.489219 0.926732 0.390616
H 5.158286 -0.637468 -0.068632
H 4.242999 0.306742 -1.248227
H -2.677191 1.376725 1.344642
H -2.626207 -1.715730 -1.702077
H -5.111368 -0.030282 1.066160


%chk=000180449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180449

0 1
O -0.618473 1.821595 -0.063465
O -4.165302 -1.001571 -0.567371
O 0.732966 3.676548 -0.096820
C 0.385862 -0.475499 0.293627
C 0.341148 -1.910032 -0.326060
C 1.760294 0.184133 0.059390
C 3.012147 -0.670643 0.259492
C -0.684449 0.381586 -0.466155
C 1.577192 -2.770354 0.004796
C 2.867834 -2.053785 -0.437612
C 0.101661 -0.524309 1.823090
C 1.824030 1.523900 -0.214078
C 4.332287 0.022854 -0.136688
C -2.117738 -0.025311 -0.264131
C 0.655679 2.429130 -0.151929
C -2.993024 0.381784 0.822642
C -2.867117 -0.852878 -1.082865
C -4.215491 -0.222405 0.606708
H 0.273600 -1.819704 -1.431471
H -0.585266 -2.410465 0.010541
H 3.061526 -0.884092 1.352273
H -0.427370 0.332021 -1.545200
H 1.488309 -3.749085 -0.504081
H 1.622059 -2.982449 1.091627
H 3.756677 -2.667562 -0.196852
H 2.860520 -1.910345 -1.537675
H -0.854704 -1.039739 2.020292
H 0.898418 -1.067071 2.360892
H 0.039264 0.494957 2.243595
H 2.775509 2.038492 -0.368469
H 4.523690 0.930921 0.462294
H 5.179756 -0.666930 0.027207
H 4.330547 0.308357 -1.205011
H -2.735168 1.071820 1.622745
H -2.667931 -1.383914 -2.009381
H -5.171242 -0.214855 1.121801


