%chk=000101773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101773

0 1
 O    3.031500     -0.8706000       1.812700    
 O   -4.862600      -1.289900       2.221700    
 O    5.273900      4.9199998E-02 -0.6035000    
 C  -0.2487000       1.120600     -0.2412000    
 C   -1.010500     -0.2336000     -0.4066000    
 C    1.081400      0.8564000      0.4768000    
 C    1.999600     -0.1274000     -0.2864000    
 C   -2.411700     -4.1400000E-02  -1.100000    
 C   -3.242700       1.023700     -0.3073000    
 C  -0.1159000      -1.318900      -1.063200    
 C    1.257500      -1.470000     -0.3833000    
 C    3.242200     -8.9299999E-02  0.6401000    
 C   -1.098200       2.148500      0.5179000    
 C    1.998300       2.039100      0.7769000    
 C   -2.472400       2.340800     -0.1167000    
 C    3.378200       1.399000       1.031300    
 C   -3.231700      -1.363800      -1.161000    
 C   -3.741300      0.4976000       1.055600    
 C    2.377700      0.3631000      -1.711800    
 C   -2.246000      0.4272000      -2.569300    
 C   -3.689700      -1.872700      0.1999000    
 C   -4.509200     -0.8142000      0.9270000    
 C    4.492800     -0.6532000      3.6499999E-02
 C    4.747300      -2.120200      0.2539000    
 H  -3.6899999E-02   1.546200      -1.227200    
 H   -1.198800     -0.6008000      0.6118000    
 H   0.8250000      0.4126000       1.453000    
 H   -4.141900       1.261000     -0.8944000    
 H   2.9700000E-02  -1.105600      -2.126300    
 H  -0.6127000      -2.293600      -1.010000    
 H    1.098200      -1.899200      0.6134000    
 H    1.851400      -2.198800     -0.9461000    
 H  -0.5848000       3.117400      0.5340000    
 H   -1.210900       1.844400       1.565200    
 H    1.659700       2.607700       1.649200    
 H    2.048800       2.733000     -6.9700003E-02
 H   -3.060200       3.032200      0.4997000    
 H   -2.350500       2.837300      -1.086900    
 H    4.129300       1.937400      0.4436000    
 H    3.648900       1.514300       2.087200    
 H   -2.671700      -2.152200      -1.675300    
 H   -4.129100      -1.199100      -1.774500    
 H   -2.914000      0.3588000       1.761400    
 H   -4.391900       1.247100       1.525500    
 H    2.947700       1.297400      -1.699100    
 H    2.991500     -0.3854000      -2.226100    
 H    1.505500      0.5366000      -2.347100    
 H   -1.641100       1.332000      -2.664300    
 H   -1.780200     -0.3472000      -3.187700    
 H   -3.221400      0.6476000      -3.019300    
 H   -4.295700      -2.778300      7.3299997E-02
 H   -2.834000      -2.180600      0.8124000    
 H   -5.442500     -0.6407000      0.3776000    
 H    3.730300     -0.6567000       2.454500    
 H    5.104200      -2.293000       1.272200    
 H    3.849900      -2.709800      6.0500000E-02
 H    5.520700      -2.454300     -0.4446000    
 H   -5.391800     -0.5982000       2.654200    


%chk=000101773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101773

0 1
O 2.844462 -0.923637 1.857914
O -4.811943 -1.386034 2.316602
O 5.364819 0.030372 -0.530785
C -0.256837 1.158246 -0.292203
C -1.013441 -0.205732 -0.450021
C 1.073239 0.894862 0.443592
C 2.007634 -0.113295 -0.305186
C -2.431432 -0.038854 -1.120699
C -3.268532 1.019922 -0.308956
C -0.112165 -1.266286 -1.144445
C 1.261875 -1.461527 -0.444695
C 3.245751 -0.102057 0.687940
C -1.119430 2.200840 0.461038
C 2.005546 2.082420 0.782865
C -2.517252 2.369494 -0.175098
C 3.386532 1.406422 1.075570
C -3.237139 -1.379597 -1.137007
C -3.712414 0.489919 1.084853
C 2.462843 0.403573 -1.696513
C -2.306457 0.423941 -2.600040
C -3.661647 -1.898271 0.254876
C -4.490041 -0.835380 0.983851
C 4.534804 -0.699132 0.078961
C 4.761466 -2.196161 0.237634
H -0.033286 1.570343 -1.299312
H -1.182259 -0.571658 0.586864
H 0.815461 0.400505 1.405548
H -4.197279 1.202012 -0.895766
H 0.048890 -0.985841 -2.203660
H -0.629342 -2.244153 -1.157729
H 1.111382 -1.892161 0.562619
H 1.860733 -2.187169 -1.031425
H -0.597663 3.177682 0.471801
H -1.218441 1.890176 1.521842
H 1.640664 2.665245 1.646399
H 2.083493 2.778833 -0.073549
H -3.125566 3.071896 0.430164
H -2.408256 2.833585 -1.175216
H 4.203767 1.857999 0.488155
H 3.666237 1.499074 2.143353
H -2.663066 -2.160828 -1.669648
H -4.151835 -1.210467 -1.744818
H -2.843121 0.323122 1.748374
H -4.344315 1.263339 1.571795
H 3.075007 1.318614 -1.629506
H 3.074435 -0.357426 -2.214390
H 1.594599 0.622100 -2.339910
H -1.666662 1.314832 -2.721016
H -1.884707 -0.378441 -3.232932
H -3.305090 0.673244 -3.007612
H -4.257388 -2.824549 0.154938
H -2.781847 -2.146975 0.878259
H -5.433464 -0.655445 0.416903
H 3.394210 -0.648348 2.634638
H 5.217216 -2.402808 1.225327
H 3.811836 -2.754134 0.211644
H 5.456554 -2.546338 -0.542541
H -5.310644 -0.700408 2.830462


