%chk=000181254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181254

0 1
O -2.090465 0.641620 -0.730896
O -4.294546 0.189875 -0.463682
O 0.280789 -2.434275 1.511169
O -3.496435 3.480172 -0.358150
O 1.945702 0.909435 0.473843
O 1.459308 -4.000788 0.436261
O 3.254629 0.904917 -1.364963
C -1.532120 1.979638 -0.540351
C -3.078509 0.323212 0.271712
C -2.568981 2.708916 0.391147
C -2.733802 -1.011642 0.975792
C -3.269876 1.569053 1.148672
C -0.187734 1.852412 0.198075
C 0.211339 -0.673189 -0.130594
C 0.730870 0.752327 -0.341100
C -0.092983 -1.012692 1.348597
C -1.512137 -0.903212 1.904084
C -1.416885 2.577331 -1.928797
C -2.618822 -2.159910 -0.024779
C 1.141045 -1.771755 -0.576166
C 1.032010 -2.878222 0.427390
C 1.924181 -1.822162 -1.648351
C 3.171484 0.943848 -0.160964
C 4.255436 1.035719 0.903870
C 5.052909 -0.267688 0.883441
C 5.124584 2.257228 0.611520
H -2.103467 3.468481 1.052612
H -3.620334 -1.228518 1.636638
H -2.864124 1.434188 2.165019
H -4.351418 1.788909 1.276954
H -0.353089 1.682201 1.281223
H 0.351810 2.822534 0.142080
H -0.739331 -0.767182 -0.749794
H 0.994246 0.919793 -1.412569
H 0.621590 -0.476923 2.020079
H -1.586297 0.039118 2.487802
H -1.603496 -1.723267 2.661435
H -0.425195 2.436976 -2.373125
H -2.139321 2.109925 -2.614701
H -1.634838 3.656018 -1.920098
H -3.597764 -2.457702 -0.415272
H -1.976864 -1.889951 -0.878712
H -2.167535 -3.046428 0.444924
H -4.146861 -0.303084 -1.299693
H -4.055336 2.892898 -0.925367
H 2.026807 -1.004335 -2.356448
H 2.540578 -2.684083 -1.886108
H 3.768721 1.155161 1.908187
H 5.861283 -0.245120 1.624806
H 5.516492 -0.448337 -0.096214
H 4.422668 -1.135851 1.116134
H 5.954494 2.328573 1.325370
H 4.553500 3.190743 0.677002
H 5.565192 2.210098 -0.394844


%chk=000181254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181254

0 1
O -2.175120 0.564978 -0.733588
O -4.485864 0.451602 -0.198410
O -0.070517 -2.801580 1.070317
O -3.633406 3.220044 -0.721251
O 1.987813 0.720264 0.568765
O 1.187265 -4.321906 -0.170710
O 3.332735 1.419161 -1.210941
C -1.487760 1.906802 -0.685932
C -3.126265 0.434643 0.384341
C -2.527810 2.761940 0.116308
C -2.856263 -0.895620 1.142628
C -3.042276 1.757463 1.179461
C -0.155201 1.772462 0.111620
C 0.235322 -0.795895 -0.242736
C 0.789435 0.636191 -0.338533
C -0.149043 -1.292770 1.184245
C -1.482565 -0.947392 1.882580
C -1.271418 2.354138 -2.133095
C -3.109677 -2.138151 0.251116
C 1.168904 -1.896588 -0.726933
C 0.820916 -3.148951 0.024390
C 2.135485 -1.877566 -1.677417
C 3.207775 1.122872 -0.000087
C 4.321942 1.129029 1.039505
C 5.336592 0.003634 0.697503
C 5.011802 2.516196 1.063042
H -2.074666 3.670743 0.544709
H -3.615357 -0.912069 1.953075
H -2.357932 1.680895 2.037387
H -4.036587 2.047914 1.551208
H -0.362635 1.647272 1.189275
H 0.399335 2.724591 0.007559
H -0.675095 -0.810715 -0.868722
H 1.144293 0.825669 -1.368615
H 0.666560 -1.012651 1.880681
H -1.327253 0.003297 2.427219
H -1.580334 -1.715203 2.675438
H -0.729428 1.583215 -2.707952
H -2.241931 2.544163 -2.616086
H -0.682951 3.288468 -2.165959
H -4.184562 -2.257075 0.019754
H -2.550448 -2.085070 -0.699235
H -2.782402 -3.052823 0.772516
H -4.536691 -0.265127 -0.882266
H -4.242684 2.439258 -0.854315
H 2.410603 -0.970265 -2.225993
H 2.679433 -2.800659 -1.909488
H 3.865542 0.920210 2.023203
H 6.144169 -0.011159 1.450903
H 5.787091 0.181591 -0.294977
H 4.853953 -0.989893 0.688524
H 5.840501 2.510379 1.793323
H 4.307148 3.317667 1.349637
H 5.422630 2.757383 0.067110


