%chk=000152967.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152967

0 1
 O   -5.582000       2.923700      0.3285000    
 O    4.797100      0.5179000      1.1000000E-02
 O   -5.214000       1.380200       1.962900    
 O    6.026900       1.255600      0.2374000    
 C   -2.259700      -2.290800     -0.2491000    
 C   -1.435200      -3.013000      -1.316900    
 C   -2.841000     -0.9826000     -0.7911000    
 C  -0.8003000      -4.317200     -0.8194000    
 C   -3.640300     -0.2422000      0.2851000    
 C   0.1501000      -4.172700      0.3743000    
 C   -4.205600       1.082800     -0.2177000    
 C    1.286200      -3.226600      0.1095000    
 C   -5.041500       1.782200      0.8211000    
 C    1.511200      -2.118000      0.8304000    
 C    3.936100      0.8994000       1.082200    
 C    3.357200       2.287600      0.7751000    
 C    2.603900      -1.209300      0.5648000    
 C    2.824400     -0.1011000       1.289600    
 C    2.459500       2.262600     -0.4337000    
 C    1.150900       2.556200     -0.3928000    
 C   0.1808000       2.551900      -1.542200    
 C   0.7352000       2.173600      -2.909200    
 H   -1.639000      -2.061300      0.6231000    
 H   -3.070900      -2.944400      9.2900001E-02
 H   -2.082700      -3.249000      -2.170800    
 H  -0.6554000      -2.343400      -1.699000    
 H   -3.488900      -1.193900      -1.650300    
 H   -2.027800     -0.3394000      -1.148400    
 H   -1.596800      -5.020800     -0.5466000    
 H  -0.2579000      -4.776300      -1.656000    
 H   -2.998700     -5.6299999E-02   1.155900    
 H   -4.459900     -0.8835000      0.6335000    
 H   0.5755000      -5.158100      0.6014000    
 H  -0.4121000      -3.875600       1.267100    
 H   -3.385400       1.750700     -0.5032000    
 H   -4.837300      0.9019000      -1.094700    
 H    1.947900      -3.482200     -0.7152000    
 H   0.8471000      -1.872000       1.655100    
 H    4.519200      0.9404000       2.011600    
 H    4.161200       3.006500      0.5796000    
 H    2.810900       2.658100       1.652000    
 H    3.257300      -1.455200     -0.2676000    
 H    2.157800      0.1205000       2.122700    
 H    2.929500       1.999400      -1.376900    
 H   0.7131000       2.822200      0.5677000    
 H   -6.128500       3.388600      0.9974000    
 H  -0.2654000       3.551100      -1.612100    
 H  -0.6335000       1.860900      -1.294000    
 H    1.148300       1.159400      -2.904100    
 H    1.519300       2.868500      -3.227500    
 H  -6.2600002E-02   2.204700      -3.658500    
 H    5.900600       1.886900     -0.4914000    


%chk=000152967-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152967

0 1
O -5.186363 2.786034 -0.990574
O 4.058000 0.428333 -0.952697
O -3.551531 2.497876 0.627839
O 5.413047 1.082807 -1.302925
C -2.103582 -2.622146 -0.332594
C -1.297939 -3.649593 -1.160095
C -2.608836 -1.439043 -1.189627
C -0.785642 -4.870629 -0.357346
C -3.229123 -0.304379 -0.346024
C 0.128210 -4.511141 0.855587
C -3.745449 0.859784 -1.222128
C 1.310005 -3.650045 0.473129
C -4.112023 2.088356 -0.414356
C 1.517439 -2.375536 0.924278
C 3.830262 0.741343 0.492190
C 3.463883 2.233291 0.695684
C 2.620635 -1.509752 0.516735
C 2.732721 -0.207754 0.919599
C 2.156766 2.624103 0.036890
C 1.132725 3.263109 0.662515
C -0.193846 3.668122 0.045617
C -0.376657 3.293684 -1.439033
H -1.464215 -2.221066 0.478149
H -2.962861 -3.123632 0.160000
H -1.925297 -4.013531 -2.000050
H -0.431261 -3.130305 -1.617056
H -3.347282 -1.807334 -1.932251
H -1.756240 -1.030549 -1.771965
H -1.646010 -5.460087 0.020223
H -0.223880 -5.537248 -1.042984
H -2.476134 0.088070 0.363569
H -4.062701 -0.701956 0.266486
H 0.484525 -5.461776 1.304615
H -0.467072 -3.998382 1.634755
H -2.944743 1.168953 -1.926124
H -4.610526 0.560529 -1.838299
H 2.022333 -4.081182 -0.249078
H 0.794730 -1.945427 1.636409
H 4.787135 0.522643 1.011503
H 4.305367 2.825766 0.283821
H 3.423276 2.441104 1.783454
H 3.370593 -1.921590 -0.172554
H 1.958686 0.229021 1.566487
H 2.060770 2.346263 -1.022154
H 1.252901 3.524314 1.727627
H -5.371020 3.602293 -0.449420
H -0.316856 4.765857 0.166286
H -1.018782 3.219445 0.637479
H -0.300811 2.199370 -1.583546
H 0.391971 3.771333 -2.074541
H -1.367838 3.622077 -1.802580
H 5.153341 1.528800 -2.157424


