%chk=000196516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196516

0 1
O -4.909482 0.025973 0.449470
O 5.819166 -1.710112 0.527662
O -5.139690 -1.929273 -0.669213
C -2.455378 -0.156015 -0.056877
C -1.505593 1.006226 -0.496997
C -0.065822 0.708638 -0.064310
C 0.399069 -0.578192 -0.809913
C -3.833786 0.457955 -0.447147
C -2.043830 -1.406777 -0.847627
C -2.210807 2.274685 0.014306
C -0.574015 -1.754646 -0.561030
C -3.715081 1.974749 -0.182765
C 0.883370 1.871059 -0.394806
C -2.431053 -0.435799 1.450942
C 1.827556 -0.915732 -0.434920
C 2.302258 1.530179 -0.040372
C 2.725842 0.156461 -0.078328
C 2.297537 -2.209027 -0.476188
C 4.074949 -0.132042 0.244827
C 3.193343 2.524874 0.302846
C -5.484138 -1.203566 0.234649
C 3.645662 -2.527184 -0.155162
C 4.497391 -1.507015 0.196936
C 4.977514 0.914003 0.598582
C 4.542613 2.215777 0.625311
C -6.540399 -1.432173 1.260960
H -1.513404 1.057689 -1.617347
H -0.030145 0.521629 1.037087
H 0.397849 -0.360606 -1.910902
H -4.140756 0.205715 -1.479644
H -2.196091 -1.250009 -1.931890
H -2.701442 -2.261149 -0.588610
H -1.899192 3.172193 -0.540858
H -1.978995 2.463818 1.075961
H -0.473346 -2.099861 0.486893
H -0.280758 -2.614610 -1.194509
H -4.301702 2.248519 0.714240
H -4.138047 2.554612 -1.017838
H 0.553079 2.784550 0.138764
H 0.830303 2.121604 -1.475572
H -2.857458 0.397536 2.021419
H -3.019012 -1.327056 1.693828
H -1.410177 -0.600156 1.815943
H 1.644852 -3.035277 -0.761607
H 2.878994 3.566763 0.333171
H 3.970386 -3.560829 -0.195338
H 6.007223 0.646271 0.841711
H 5.218126 3.026391 0.892302
H -7.316674 -0.652260 1.220994
H -6.123770 -1.407798 2.279801
H -7.027717 -2.407826 1.112387
H 6.065380 -2.666181 0.479177


%chk=000196516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196516

0 1
O -5.003882 -0.125159 0.447673
O 6.023686 -1.672899 0.358160
O -5.444417 -1.475871 -1.412882
C -2.460273 -0.160309 0.207977
C -1.509337 0.987585 -0.262861
C -0.030604 0.710515 0.054537
C 0.397275 -0.628905 -0.629561
C -3.813430 0.476781 -0.222665
C -2.062227 -1.453925 -0.540192
C -2.180771 2.283060 0.268711
C -0.568105 -1.803325 -0.305225
C -3.715500 1.973521 0.187080
C 0.893373 1.842793 -0.445110
C -2.444045 -0.382311 1.742952
C 1.870021 -0.934282 -0.330602
C 2.364480 1.534380 -0.212548
C 2.802008 0.160894 -0.159736
C 2.359848 -2.242291 -0.245477
C 4.207140 -0.105600 0.072237
C 3.294590 2.567497 -0.044114
C -5.734922 -1.087571 -0.258394
C 3.740232 -2.522686 -0.014574
C 4.646995 -1.472506 0.136072
C 5.131113 0.975237 0.228106
C 4.678913 2.294799 0.167904
C -6.907747 -1.562471 0.574310
H -1.589176 1.015195 -1.375871
H 0.106300 0.610057 1.151399
H 0.311869 -0.440560 -1.726609
H -3.950122 0.350625 -1.313650
H -2.243557 -1.314760 -1.625587
H -2.695359 -2.305491 -0.224315
H -1.907011 3.169397 -0.329871
H -1.871881 2.486491 1.311283
H -0.411073 -2.126398 0.742708
H -0.315361 -2.674720 -0.939604
H -4.214741 2.117955 1.161247
H -4.233216 2.618322 -0.543774
H 0.633837 2.800842 0.043699
H 0.709061 1.986053 -1.532884
H -2.702398 0.534874 2.300559
H -3.187476 -1.151715 2.016852
H -1.457195 -0.723968 2.096789
H 1.678910 -3.090260 -0.359991
H 2.948751 3.608290 -0.073849
H 4.079042 -3.565460 0.040630
H 6.185841 0.741578 0.396469
H 5.383116 3.125021 0.290613
H -7.560206 -0.710324 0.832135
H -6.549052 -1.998200 1.523055
H -7.481566 -2.313991 0.013357
H 6.232948 -2.639105 0.383834


