%chk=000195271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195271

0 1
O -3.499198 -2.156793 -0.625777
O -4.851935 -0.230624 1.078136
O -1.745764 -1.197534 -2.370831
O -4.076385 2.479125 0.496634
C 3.529649 0.209434 -0.097287
C 4.957674 0.341308 -0.643683
C 2.488526 0.624249 -1.145743
C 5.999209 -0.072499 0.404758
C 1.062247 0.492718 -0.597038
C 7.427475 0.059143 -0.141174
C 0.021584 0.913206 -1.647190
C 8.468814 -0.354353 0.907270
C -1.371437 0.791757 -1.102830
C 9.898173 -0.223176 0.362562
C -1.985912 1.740927 -0.373405
C -2.065216 -0.494598 -1.446698
C -3.394567 1.540594 0.145809
C -3.245975 -0.836657 -0.547987
C 10.938901 -0.633723 1.402020
C -3.858831 0.126915 0.191380
C -1.373786 3.045240 -0.007277
C -4.661488 -2.690172 0.116834
C -6.088293 0.570300 1.007859
C -4.567319 -4.174980 -0.156787
C -7.060550 -0.231617 1.848813
H 3.416571 0.828845 0.813225
H 3.345262 -0.834358 0.223586
H 5.143138 1.383680 -0.967005
H 5.071772 -0.280763 -1.552569
H 2.601624 0.000130 -2.054077
H 2.676052 1.665778 -1.470402
H 5.885648 0.548265 1.314314
H 5.814847 -1.115523 0.727212
H 0.873465 -0.552995 -0.283000
H 0.946548 1.108763 0.315475
H 7.612352 1.101694 -0.464324
H 7.541484 -0.562617 -1.050108
H 0.214917 1.953105 -1.983826
H 0.129286 0.281083 -2.558664
H 8.285646 -1.396940 1.230999
H 8.356246 0.266011 1.817038
H 10.012839 -0.845363 -0.546593
H 10.083723 0.820051 0.040107
H 10.877998 -0.011243 2.301903
H 11.955276 -0.537031 1.004369
H 10.807028 -1.675572 1.715430
H -0.767845 2.952444 0.907723
H -0.714561 3.437476 -0.795117
H -2.142019 3.813454 0.194500
H -4.542627 -2.420269 1.182210
H -5.566992 -2.217411 -0.296793
H -5.860507 1.565660 1.434141
H -6.392899 0.666558 -0.045019
H -5.420942 -4.713535 0.270202
H -3.647794 -4.605685 0.263558
H -4.540475 -4.381009 -1.237269
H -7.974733 0.340710 2.047668
H -6.614018 -0.493987 2.819407
H -7.347101 -1.171794 1.363635


%chk=000195271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195271

0 1
O -3.622707 -2.314434 -0.325763
O -5.202735 -0.218592 1.032737
O -1.256480 -1.672260 -1.339540
O -4.027474 2.350465 1.056054
C 3.706372 0.223270 0.069549
C 5.117048 0.361704 -0.546359
C 2.576439 0.601996 -0.914145
C 6.253629 -0.020977 0.428170
C 1.165709 0.444526 -0.306336
C 7.661079 0.107369 -0.197238
C 0.044907 0.825513 -1.319803
C 8.802246 -0.281263 0.769595
C -1.339353 0.654668 -0.734614
C 10.207170 -0.160481 0.135909
C -2.055714 1.677428 -0.156515
C -1.906391 -0.732128 -0.788021
C -3.404560 1.410486 0.452340
C -3.275838 -0.990121 -0.205667
C 11.343094 -0.554296 1.104714
C -3.994294 0.048627 0.373861
C -1.550510 3.101185 -0.072580
C -5.000014 -2.822171 -0.044487
C -6.395430 0.627062 0.700330
C -4.974616 -4.299605 -0.421600
C -7.557629 0.067893 1.514968
H 3.636807 0.861589 0.975222
H 3.557304 -0.821556 0.412827
H 5.266215 1.406789 -0.890664
H 5.183087 -0.275926 -1.452810
H 2.652937 -0.032477 -1.821396
H 2.719626 1.650136 -1.252051
H 6.194043 0.620119 1.332711
H 6.101547 -1.064056 0.776644
H 1.014455 -0.604525 0.012903
H 1.076883 1.075125 0.601707
H 7.814263 1.151184 -0.543714
H 7.717041 -0.531260 -1.103878
H 0.196785 1.868649 -1.652456
H 0.148039 0.165408 -2.200338
H 8.648305 -1.323644 1.119772
H 8.753107 0.360110 1.674672
H 10.252949 -0.800232 -0.769251
H 10.360769 0.881395 -0.212775
H 11.339263 0.091163 2.003560
H 12.335717 -0.461517 0.626498
H 11.228172 -1.601008 1.444760
H -0.540975 3.145134 0.373463
H -1.483979 3.560600 -1.077434
H -2.237980 3.706818 0.537956
H -5.232213 -2.656024 1.019625
H -5.719784 -2.249133 -0.658929
H -6.168189 1.672731 0.962177
H -6.580730 0.548229 -0.390611
H -5.967791 -4.748683 -0.236317
H -4.227609 -4.842922 0.181501
H -4.721121 -4.430766 -1.487056
H -8.470563 0.659652 1.319487
H -7.332674 0.124458 2.593644
H -7.762850 -0.985621 1.255297


