%chk=000195460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195460

0 1
O 0.692982 -1.888121 0.514937
O 2.924937 -2.317839 0.332376
O -5.161796 -2.438158 -0.055987
O -5.348738 -0.404053 1.685983
O 4.523323 0.714342 1.256915
O 6.686540 -0.806599 0.825702
C 2.049258 -0.128251 -0.377078
C -0.816486 -0.075337 0.073718
C 1.420685 1.170788 0.225099
C -0.087623 1.285050 -0.099988
C -2.294441 0.031444 -0.408360
C -0.020742 -1.218946 -0.591714
C 1.120506 -0.697296 -1.479078
C 3.456347 0.257047 -0.869007
C -2.979609 1.134723 0.464411
C 2.242548 2.346237 -0.352910
C 1.989785 -1.291917 0.664497
C -0.779537 2.354403 0.762264
C 3.343130 1.749460 -1.248346
C -2.255576 2.488250 0.363267
C -3.027450 -1.304434 -0.131834
C -4.472818 1.279886 0.124342
C -2.351505 0.353089 -1.909047
C -4.528610 -1.215823 -0.437941
C -5.222998 -0.041698 0.300859
C 4.502961 0.076796 0.228071
C 5.552341 -0.998823 -0.016675
H -0.835236 -0.317701 1.170600
H 1.557148 1.154333 1.332047
H -0.187805 1.595231 -1.173830
H -0.642641 -2.017850 -1.028713
H 1.604074 -1.506826 -2.049077
H 0.803425 0.058733 -2.212246
H 3.733955 -0.354088 -1.756925
H -2.910831 0.797812 1.532360
H 2.696519 2.924515 0.473868
H 1.616493 3.054920 -0.918657
H 2.159106 -1.043783 1.725292
H -0.268309 3.328576 0.646119
H -0.695151 2.101196 1.836267
H 3.078289 1.847928 -2.315598
H 4.301332 2.281044 -1.114264
H -2.752160 3.229967 1.017778
H -2.337875 2.892638 -0.663261
H -2.876175 -1.624544 0.916205
H -2.590770 -2.125413 -0.734840
H -4.934798 2.049906 0.774629
H -4.601624 1.648640 -0.911452
H -1.972351 -0.477023 -2.513793
H -3.373894 0.557459 -2.244205
H -1.749588 1.238259 -2.152096
H -4.716825 -1.167949 -1.534202
H -6.291604 0.038620 -0.008547
H 2.456295 -3.089844 -0.058336
H 5.973943 -0.986846 -1.037978
H 5.109979 -2.002266 0.189606
H -5.358270 -2.432692 0.915350
H -4.490583 -0.301154 2.150888
H 6.395820 -0.446815 1.703633


%chk=000195460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195460

0 1
O 0.674962 -1.968541 0.651664
O 2.986387 -2.463696 0.125668
O -5.396595 -2.363728 -0.097568
O -5.497170 -0.262525 1.681535
O 4.449566 0.378443 1.382433
O 6.903448 -0.511661 0.737405
C 2.056424 -0.268435 -0.312438
C -0.878325 -0.123237 0.088996
C 1.426306 1.018145 0.358108
C -0.070711 1.207815 -0.024463
C -2.347856 0.027837 -0.449857
C -0.055509 -1.306614 -0.502475
C 1.096071 -0.831012 -1.403905
C 3.450329 0.149645 -0.855656
C -3.016402 1.184267 0.383711
C 2.335739 2.208050 -0.097656
C 2.051954 -1.467748 0.656904
C -0.766311 2.320129 0.792452
C 3.240077 1.653417 -1.228691
C -2.228534 2.513690 0.327489
C -3.166340 -1.270431 -0.152228
C -4.514218 1.369399 0.040670
C -2.356848 0.305259 -1.978754
C -4.676155 -1.139899 -0.470172
C -5.325416 0.074415 0.238828
C 4.563019 0.017525 0.172899
C 5.894043 -0.561701 -0.296846
H -0.970286 -0.363315 1.170905
H 1.493544 0.911581 1.458662
H -0.086917 1.533760 -1.086097
H -0.683276 -2.094600 -0.945543
H 1.569303 -1.684335 -1.919236
H 0.786408 -0.081138 -2.148942
H 3.727344 -0.451905 -1.740270
H -2.951897 0.846808 1.448448
H 2.960470 2.548131 0.745931
H 1.744225 3.075653 -0.444038
H 2.310393 -1.221051 1.702339
H -0.211638 3.273849 0.700255
H -0.753018 2.046596 1.868664
H 2.725500 1.698924 -2.207307
H 4.189100 2.210631 -1.330409
H -2.733385 3.264480 0.967334
H -2.245623 2.921339 -0.704094
H -3.046842 -1.540750 0.918609
H -2.785102 -2.132057 -0.729745
H -4.952439 2.165773 0.673274
H -4.624300 1.705095 -1.009221
H -1.887438 -0.535957 -2.522109
H -3.380108 0.414534 -2.377968
H -1.808082 1.225095 -2.246302
H -4.830035 -1.046346 -1.559761
H -6.364973 0.191261 -0.111575
H 2.912680 -3.288980 0.668140
H 6.247271 -0.005570 -1.190030
H 5.694600 -1.610379 -0.607212
H -5.619041 -2.258771 0.868553
H -4.642845 -0.092910 2.155366
H 6.441777 -0.195048 1.566426


