%chk=000231533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231533

0 1
O -2.990288 -2.017192 0.085342
O 0.458802 0.923112 -0.466525
O 0.670028 -1.300966 2.059860
O -1.231322 -2.963390 -0.965672
O -1.020219 0.119252 -1.972054
O 4.745911 1.112745 -0.405607
O 5.490646 -0.895323 0.327464
C -0.886326 -0.882791 0.273127
C -1.660472 -0.106367 1.366102
C 0.432145 -1.472894 0.893688
C 1.306358 -2.265117 -0.042260
C 2.789844 -1.960613 0.176768
C -2.471479 1.053879 0.853185
C -1.682151 -2.062938 -0.294534
C -0.537386 0.071903 -0.868955
C 3.163501 -0.597535 -0.410167
C -3.761609 0.852855 0.342328
C -1.944479 2.353881 0.911292
C -4.517336 1.940545 -0.102961
C -2.704221 3.438958 0.467639
C 4.581622 -0.225388 -0.097278
C -3.868499 -3.103528 -0.379413
C 0.804301 2.017775 -1.400851
C -3.991857 3.234934 -0.039072
C -3.656156 -4.331251 0.477201
C 1.887442 2.784045 -0.679376
C 6.053262 1.721264 -0.163674
C 6.213399 2.021989 1.311776
H -0.928258 0.252838 2.130526
H -2.317398 -0.814241 1.919467
H 1.023422 -2.127879 -1.108858
H 1.108154 -3.349486 0.135991
H 3.028873 -1.987523 1.263430
H 3.411380 -2.756383 -0.283321
H 3.016962 -0.585213 -1.512193
H 2.471263 0.194523 -0.025564
H -4.168289 -0.158343 0.284977
H -0.937713 2.514417 1.296124
H -5.517041 1.778610 -0.502261
H -2.293339 4.445538 0.518240
H -3.665232 -3.283636 -1.450580
H -4.858312 -2.632056 -0.237690
H -0.118616 2.602932 -1.564008
H 1.133500 1.555477 -2.346505
H -4.582579 4.080955 -0.384190
H -4.411856 -5.099368 0.269163
H -3.709379 -4.095290 1.548187
H -2.670665 -4.784629 0.291243
H 2.073429 3.752697 -1.159715
H 2.847976 2.239213 -0.657294
H 1.613620 2.977249 0.367775
H 6.833718 1.038435 -0.544810
H 5.982770 2.628351 -0.790424
H 5.356964 2.582573 1.706831
H 6.290596 1.093924 1.899270
H 7.118388 2.609072 1.506716


%chk=000231533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231533

0 1
O -2.844989 -2.150400 0.476971
O 0.344942 1.229831 -0.684422
O 0.625454 -0.944741 1.856262
O -1.657824 -2.294854 -1.518208
O -1.376912 0.577433 -2.112198
O 5.252296 0.799536 -0.107778
O 5.477683 -1.441296 0.515157
C -1.072254 -0.526301 0.116283
C -1.773335 0.281657 1.265611
C 0.293103 -1.129378 0.663245
C 1.149523 -1.948378 -0.302397
C 2.651227 -1.930880 0.056622
C -2.854496 1.254647 0.811565
C -1.881758 -1.718337 -0.431632
C -0.750852 0.441489 -1.046164
C 3.268161 -0.535798 -0.155389
C -4.187220 0.832730 0.569275
C -2.541400 2.629268 0.645225
C -5.174829 1.756457 0.161161
C -3.526083 3.556345 0.236686
C 4.757954 -0.491632 0.130795
C -3.607278 -3.384529 0.091564
C 0.714792 2.319407 -1.647825
C -4.848200 3.121755 -0.010220
C -2.822832 -4.643985 0.466934
C 1.861794 3.105228 -1.021109
C 6.708701 1.017298 0.158740
C 6.944153 1.364296 1.631413
H -0.971148 0.828453 1.788633
H -2.180106 -0.455440 1.976581
H 0.970273 -1.623469 -1.343169
H 0.772483 -2.991734 -0.257063
H 2.785885 -2.236042 1.108786
H 3.182881 -2.673628 -0.565022
H 3.110095 -0.187606 -1.195029
H 2.770001 0.211250 0.490109
H -4.444383 -0.223014 0.705968
H -1.520017 2.973650 0.852730
H -6.199810 1.412996 -0.020196
H -3.265537 4.614585 0.119372
H -3.812315 -3.340756 -0.992069
H -4.544128 -3.292536 0.663674
H -0.185473 2.936925 -1.817673
H 0.994411 1.846452 -2.606735
H -5.615486 3.837737 -0.325606
H -3.438493 -5.538492 0.258682
H -2.565833 -4.644907 1.540113
H -1.897178 -4.721353 -0.127419
H 2.151619 3.931724 -1.695683
H 2.748585 2.470085 -0.856300
H 1.559979 3.541162 -0.053116
H 7.258343 0.104238 -0.130641
H 6.974305 1.850559 -0.511612
H 6.347418 2.243491 1.930065
H 6.677382 0.513578 2.280523
H 8.012522 1.599824 1.793832


