%chk=000182924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182924

0 1
O -5.434141 -0.644748 -0.082612
O 6.230390 0.195510 -0.515852
O 0.034848 -0.048546 -0.108031
C -6.384588 0.116027 0.738866
C -7.710862 -0.148051 0.012709
C -6.354555 -0.444306 2.154373
C -7.942607 0.833472 -1.130350
C -4.087382 -0.375924 0.020361
C 2.197923 0.773170 0.264490
C 6.904644 -1.112404 -0.453198
C 0.750615 1.038911 0.557982
C 4.891643 0.283888 -0.238326
C -1.342691 -0.063335 -0.004268
C -3.515440 0.673982 0.738479
C -3.294758 -1.286746 -0.723422
C 2.691338 -0.537286 0.283873
C 3.064706 1.844048 -0.023273
C 4.041277 -0.796543 0.032653
C 4.411926 1.612630 -0.267069
C -2.120011 0.833101 0.727207
C -1.921960 -1.128981 -0.737780
C 7.185827 -1.440871 1.005008
C 8.160579 -0.855543 -1.273071
H -6.097268 1.188361 0.712907
H -8.550585 -0.106667 0.732028
H -7.697013 -1.187735 -0.382662
H -6.596423 -1.515493 2.163895
H -5.357005 -0.350578 2.602581
H -7.066115 0.067134 2.810257
H -8.855910 0.587741 -1.684284
H -8.040508 1.864680 -0.774442
H -7.109635 0.806637 -1.846660
H 6.246824 -1.869041 -0.933274
H 0.535952 0.984400 1.641563
H 0.394194 1.997108 0.140499
H -4.126787 1.373508 1.300784
H -3.785381 -2.089927 -1.270627
H 2.005709 -1.363774 0.486322
H 2.680878 2.863710 -0.054193
H 4.407343 -1.817588 0.041173
H 5.102728 2.423090 -0.485676
H -1.677379 1.650104 1.287022
H -1.273063 -1.800135 -1.298168
H 7.774532 -2.358650 1.106833
H 6.259888 -1.568644 1.579760
H 7.745853 -0.631265 1.492959
H 8.817533 -1.731079 -1.287104
H 7.909483 -0.595673 -2.310060
H 8.733033 -0.008479 -0.869882


%chk=000182924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182924

0 1
O -5.618460 -0.653396 -0.029578
O 6.402614 0.328612 -0.384213
O -0.008592 -0.134428 -0.346896
C -6.500922 0.188954 0.821550
C -7.906256 0.047782 0.211057
C -6.433024 -0.281517 2.285358
C -8.016987 0.647580 -1.205318
C -4.229023 -0.433572 -0.013476
C 2.209366 0.695298 0.179825
C 7.105314 -0.985149 -0.430258
C 0.728180 0.883854 0.424226
C 5.014895 0.364483 -0.180166
C -1.407929 -0.171068 -0.184881
C -3.564598 0.587440 0.705227
C -3.470928 -1.324246 -0.819564
C 2.783150 -0.595797 0.118073
C 3.062383 1.820652 0.049962
C 4.172365 -0.771976 -0.061783
C 4.450310 1.663527 -0.121373
C -2.156195 0.720088 0.617797
C -2.076723 -1.194535 -0.905377
C 7.298804 -1.533920 0.994767
C 8.429291 -0.698574 -1.145596
H -6.171936 1.247065 0.732766
H -8.627383 0.540345 0.893188
H -8.164306 -1.028743 0.189401
H -6.806207 -1.317892 2.366669
H -5.400785 -0.258543 2.675090
H -7.059077 0.366148 2.926608
H -9.030160 0.501217 -1.621497
H -7.808454 1.734429 -1.196569
H -7.290937 0.166997 -1.883220
H 6.498679 -1.686928 -1.039731
H 0.479252 0.755802 1.500974
H 0.407607 1.900395 0.115205
H -4.117108 1.291276 1.334503
H -3.998929 -2.107033 -1.372639
H 2.130241 -1.471488 0.192367
H 2.639919 2.832752 0.077945
H 4.577356 -1.786957 -0.111071
H 5.113851 2.527112 -0.227326
H -1.670366 1.523098 1.179894
H -1.483983 -1.873061 -1.526474
H 7.804402 -2.516665 0.961419
H 6.336339 -1.658635 1.519872
H 7.924604 -0.839945 1.583173
H 9.024184 -1.625386 -1.236337
H 8.245848 -0.295258 -2.155853
H 9.017913 0.043008 -0.577421


