%chk=000231509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231509

0 1
O -1.328004 -1.815634 -0.394667
O -3.306826 -0.764806 -0.122599
O 2.882860 -0.496463 -0.509105
O 3.575786 0.200820 1.520218
C -1.255122 0.233484 0.834879
C -1.846592 1.645833 0.591319
C -1.731074 2.077807 -0.873851
C 0.190004 0.219101 0.330717
C -0.280274 2.009945 -1.361198
C 0.333226 0.627261 -1.108372
C -1.410784 -0.143119 2.313703
C -2.114313 -0.784638 0.064235
C 1.220922 -0.099062 1.129243
C 2.649768 -0.085514 0.794058
C -2.001697 -2.894379 -1.097584
C 4.271332 -0.548577 -0.930168
H -1.323729 2.370638 1.245348
H -2.911883 1.657063 0.901453
H -2.123285 3.106568 -0.990603
H -2.379195 1.439063 -1.507756
H 0.327063 2.783880 -0.850934
H -0.229825 2.247428 -2.441022
H 1.399055 0.621989 -1.431309
H -0.151777 -0.143624 -1.748395
H -1.028491 -1.151467 2.522174
H -0.872244 0.557543 2.964931
H -2.464691 -0.123505 2.624802
H 1.074203 -0.390367 2.176714
H -1.165742 -3.522501 -1.423808
H -2.569240 -2.491523 -1.942095
H -2.662773 -3.420820 -0.402570
H 4.212038 -1.060357 -1.895502
H 4.863886 -1.114416 -0.202942
H 4.654520 0.471451 -1.025813


%chk=000231509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231509

0 1
O -1.527136 -2.011572 -0.215663
O -3.370509 -0.601141 -0.277348
O 3.107500 0.041566 -0.569849
O 3.524910 -0.686237 1.597929
C -1.240427 0.198117 0.755500
C -1.789269 1.649595 0.541779
C -1.687735 2.136090 -0.919403
C 0.193829 0.129911 0.189658
C -0.247795 1.999366 -1.457790
C 0.287894 0.549287 -1.267196
C -1.368951 -0.168852 2.262414
C -2.169560 -0.796191 0.017836
C 1.244353 -0.210230 1.000292
C 2.693534 -0.310763 0.727873
C -2.360756 -3.078008 -0.824333
C 4.564326 -0.082548 -0.813674
H -1.204783 2.322167 1.200823
H -2.841511 1.676302 0.878796
H -2.021251 3.189851 -0.979088
H -2.381740 1.546736 -1.549194
H 0.423407 2.702902 -0.926122
H -0.208314 2.261843 -2.532145
H 1.321743 0.465981 -1.627811
H -0.339571 -0.137223 -1.873224
H -1.024083 -1.196951 2.467063
H -0.780789 0.534070 2.878877
H -2.425727 -0.088528 2.573321
H 1.046594 -0.487265 2.040181
H -1.685525 -3.939646 -0.917566
H -2.735124 -2.754864 -1.810184
H -3.218006 -3.310494 -0.170420
H 4.699921 0.227106 -1.859890
H 4.891814 -1.124672 -0.660588
H 5.125841 0.573398 -0.127352


