%chk=000182571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182571

0 1
O 0.768747 -1.989454 1.778631
O 4.047166 2.565292 -0.980046
N -2.175678 -0.421625 0.127571
C 0.642017 -1.020173 -0.511744
C -0.122293 -1.683829 0.685280
C -1.184193 -0.666164 1.217233
C -0.411848 -0.682304 -1.604029
C -1.551827 0.203962 -1.081304
C -4.514297 0.168408 -0.352553
C -0.474638 0.586970 1.775134
C -3.355119 0.369560 0.609100
C 1.278330 0.293218 -0.065976
C 1.671814 -1.995400 -1.136102
C -5.799888 0.949170 -0.130248
C -4.916406 1.271484 -1.319761
C 0.721547 1.046862 0.988173
C -0.744101 -3.041848 0.377981
C 2.397065 0.793968 -0.747877
C 1.296761 2.279520 1.351379
C 2.842640 -2.316411 -0.255973
C 2.946975 2.019752 -0.358855
C 2.410726 2.783352 0.689895
C 4.104330 -2.321841 -0.681567
H -1.736838 -1.159826 2.060152
H -0.834926 -1.624320 -2.005881
H 0.080704 -0.173369 -2.453783
H -1.178684 1.233918 -0.888812
H -2.340555 0.288534 -1.862150
H -4.592301 -0.871897 -0.699623
H -0.156977 0.374902 2.819702
H -1.205577 1.417349 1.859492
H -3.656840 -0.019006 1.609097
H -3.129983 1.449953 0.742959
H 2.010530 -1.595080 -2.113529
H 1.156196 -2.954694 -1.378325
H -5.870749 1.658370 0.690232
H -6.756703 0.457733 -0.289233
H -5.248738 1.008901 -2.321004
H -4.364890 2.207843 -1.336255
H -0.060812 -3.686519 -0.187717
H -0.975530 -3.570326 1.313693
H -1.679434 -2.935087 -0.187869
H 1.340836 -1.229125 2.008119
H 2.843496 0.229790 -1.562766
H 0.861527 2.855354 2.169290
H 2.577446 -2.581970 0.774486
H 2.865841 3.732376 0.960573
H 4.937116 -2.581106 -0.044408
H 4.408196 -2.076510 -1.686576
H 4.407117 1.972545 -1.683408


%chk=000182571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182571

0 1
O 0.852234 -1.857173 1.861755
O 4.216562 2.580218 -0.910241
N -2.185241 -0.391899 0.143231
C 0.648790 -0.971182 -0.498287
C -0.091204 -1.626813 0.733852
C -1.185397 -0.624770 1.221740
C -0.428665 -0.598060 -1.582954
C -1.595225 0.251574 -1.052730
C -4.595263 0.069912 -0.362867
C -0.508387 0.661728 1.783926
C -3.439378 0.238146 0.617034
C 1.319905 0.339971 -0.022268
C 1.640996 -1.960170 -1.201538
C -5.858901 0.922641 -0.177568
C -4.939109 1.169751 -1.382902
C 0.732382 1.119924 1.018991
C -0.698979 -3.010371 0.473954
C 2.482836 0.832906 -0.668398
C 1.330144 2.358230 1.373213
C 2.815455 -2.479538 -0.395558
C 3.058712 2.065543 -0.295890
C 2.481538 2.844529 0.731584
C 4.096635 -2.514349 -0.840819
H -1.725168 -1.116539 2.053403
H -0.836630 -1.535723 -2.007296
H 0.076096 -0.054857 -2.405408
H -1.252893 1.295434 -0.842336
H -2.375340 0.321963 -1.830290
H -4.741554 -0.965962 -0.690298
H -0.235368 0.480918 2.842339
H -1.252330 1.482590 1.806817
H -3.707183 -0.248742 1.575750
H -3.318487 1.333446 0.833629
H 2.012580 -1.495473 -2.136929
H 1.034600 -2.827480 -1.533137
H -5.856107 1.667926 0.625161
H -6.832212 0.455517 -0.351572
H -5.291949 0.872144 -2.374808
H -4.326894 2.078018 -1.374914
H 0.072487 -3.745581 0.192103
H -1.168625 -3.367147 1.407582
H -1.478090 -2.962806 -0.303009
H 1.434275 -1.057001 1.953462
H 2.958294 0.240130 -1.457454
H 0.874490 2.953721 2.174211
H 2.572389 -2.880374 0.597354
H 2.941368 3.797861 1.006949
H 4.904163 -2.940845 -0.235165
H 4.377538 -2.125695 -1.829785
H 4.567408 1.945013 -1.582820


