%chk=000254523.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254523

0 1
O -2.427176 0.716611 -0.964751
O -1.314670 -2.722596 0.148322
O 3.636642 0.228559 1.078775
O -1.824039 0.590283 1.215300
O -0.122287 -2.867385 2.073349
O 2.257139 1.002115 -0.544690
C -3.318233 2.932491 -0.385751
C -3.556583 -3.114245 1.063398
C 5.635693 0.679340 -0.239747
C -3.646167 1.447686 -0.617309
C -2.243615 -3.765073 0.593225
C 4.638307 1.256273 0.779873
C -4.573340 3.653817 0.113050
C -2.774155 3.573907 -1.663671
C -4.204605 -2.322853 -0.076351
C -3.330783 -2.234163 2.292951
C 5.249470 1.071525 -1.667268
C 7.053836 1.150412 0.096319
C -0.377419 -0.310884 -0.555355
C 0.382941 -1.129780 0.434735
C -1.576048 0.364655 0.055156
C -0.345824 -2.312003 1.025342
C 1.643614 -0.911464 0.831326
C 2.482642 0.206588 0.343373
H -2.529440 2.990705 0.409511
H -4.243210 -3.953760 1.350720
H 5.598437 -0.438139 -0.151805
H -4.100761 0.974181 0.270103
H -4.261438 1.270343 -1.516201
H -1.765495 -4.370432 1.384222
H -2.367175 -4.358525 -0.329369
H 5.077714 1.414414 1.781111
H 4.133860 2.173202 0.431624
H -5.397190 3.593313 -0.606057
H -4.370083 4.718661 0.280335
H -4.926122 3.240650 1.065034
H -3.534633 3.636451 -2.449114
H -1.935494 2.990576 -2.066360
H -2.411244 4.590101 -1.476170
H -3.514374 -1.565573 -0.475013
H -5.104908 -1.800910 0.264291
H -4.491732 -2.971472 -0.909930
H -2.792743 -1.306470 2.043243
H -2.736350 -2.745601 3.060108
H -4.278649 -1.935800 2.751987
H 5.398141 2.140931 -1.854042
H 4.188819 0.859346 -1.867599
H 5.843170 0.525009 -2.407007
H 7.137128 2.242865 0.081938
H 7.776709 0.764905 -0.633043
H 7.374847 0.802224 1.084304
H 0.275274 0.476316 -1.029186
H -0.703158 -0.955669 -1.412409
H 2.132162 -1.560357 1.577173


%chk=000254523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254523

0 1
O -2.484214 0.970181 -1.168085
O -1.531081 -2.557080 -0.045237
O 3.664858 0.215728 0.901333
O -1.886367 0.485178 1.036285
O 0.177531 -3.132183 1.445948
O 2.211345 1.230296 -0.628675
C -3.404602 3.165376 -0.362528
C -3.586365 -3.323451 1.148462
C 5.974450 0.662837 0.111618
C -3.703118 1.688508 -0.682327
C -2.333703 -3.753823 0.360247
C 4.687254 1.281865 0.687525
C -4.686634 3.820931 0.204789
C -2.883650 3.923061 -1.604254
C -4.543139 -2.469529 0.283675
C -3.212994 -2.605788 2.467162
C 5.733522 0.048909 -1.285138
C 7.074811 1.751337 0.073375
C -0.426883 -0.196748 -0.855015
C 0.346771 -1.090348 0.088737
C -1.647789 0.430438 -0.191681
C -0.310014 -2.351248 0.593545
C 1.617966 -0.861257 0.537058
C 2.468844 0.299421 0.180391
H -2.625660 3.184692 0.424967
H -4.101434 -4.276649 1.400308
H 6.299089 -0.142229 0.801357
H -4.088265 1.161687 0.209619
H -4.411584 1.594609 -1.523452
H -1.685111 -4.415965 0.960896
H -2.604389 -4.238156 -0.594086
H 4.864999 1.714115 1.687845
H 4.267308 2.047799 0.010212
H -5.509738 3.788524 -0.535232
H -4.500195 4.881669 0.451095
H -5.030195 3.314035 1.125579
H -3.660880 3.967004 -2.392080
H -1.993710 3.428483 -2.031558
H -2.609119 4.961057 -1.341700
H -4.045140 -1.536744 -0.034792
H -5.447234 -2.197780 0.858427
H -4.865133 -3.013371 -0.624506
H -2.744318 -1.626392 2.263682
H -2.506260 -3.207356 3.067424
H -4.117772 -2.426914 3.076289
H 5.388007 0.819403 -2.000265
H 4.970735 -0.748924 -1.245924
H 6.665382 -0.393413 -1.681887
H 6.788138 2.582435 -0.599171
H 8.022793 1.327270 -0.303376
H 7.268246 2.174153 1.077176
H 0.225264 0.618082 -1.217309
H -0.778774 -0.765285 -1.733487
H 2.065554 -1.583149 1.228736


