%chk=000088546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088546

0 1
 O    3.087500       1.120500     -0.2154000    
 O   -1.300300       2.599500     -0.4450000    
 O    1.742400      -1.959800     -0.6491000    
 O   -3.657500      -1.960400      0.4625000    
 O    1.801100      0.3784000       1.545100    
 O  -0.4673000       2.058700       1.633200    
 C   0.2379000      0.3717000      -1.369600    
 C   0.7561000       1.442600     -0.3899000    
 C  -0.3767000     -0.8409000     -0.7080000    
 C   0.4070000      -1.946900     -0.3792000    
 C   -1.742500     -0.8451000     -0.4251000    
 C    1.910800      0.9106000      0.4488000    
 C  -0.3847000       2.054700      0.4124000    
 C   -2.324700      -1.955300      0.1865000    
 C  -0.1752000      -3.057400      0.2323000    
 C   -1.541000      -3.061500      0.5151000    
 C    4.266000      0.6671000      0.4582000    
 C   -2.434600       3.215700      0.1730000    
 C    2.467000      -3.131100     -0.2792000    
 C    5.473700      0.9711000     -0.4024000    
 C   -3.345100       3.765100     -0.9043000    
 C   -4.400100     -0.7973000      0.1002000    
 H    1.060400      4.7800001E-02  -2.021200    
 H  -0.4981000      0.8100000      -2.056700    
 H    1.164100       2.283600     -0.9703000    
 H   -2.310200      3.3900000E-02 -0.7091000    
 H   0.3695000      -3.951000      0.5163000    
 H   -1.990100      -3.928800      0.9916000    
 H    4.196200     -0.4128000      0.6299000    
 H    4.357800       1.183200       1.420300    
 H   -2.097700       4.030500      0.8235000    
 H   -2.973900       2.472700      0.7707000    
 H    3.510800      -2.967200     -0.5670000    
 H    2.120400      -4.012000     -0.8303000    
 H    2.458100      -3.285300      0.8051000    
 H    6.394500      0.6372000      8.3899997E-02
 H    5.546700       2.046000     -0.5984000    
 H    5.387700      0.4757000      -1.375200    
 H   -4.224300       4.245400     -0.4660000    
 H   -3.676300       2.963700      -1.573100    
 H   -2.813600       4.495900      -1.522600    
 H   -5.440300     -0.9743000      0.3926000    
 H   -4.396200     -0.6376000     -0.9834000    
 H   -4.059700      8.5299999E-02  0.6519000    


%chk=000088546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088546

0 1
O 3.189504 1.153172 -0.124498
O -1.362862 2.456377 -0.479822
O 1.728630 -1.916808 -0.841614
O -3.753857 -1.950878 0.489593
O 1.704463 0.303384 1.462756
O 0.057059 2.918607 1.301580
C 0.264967 0.384184 -1.494334
C 0.863407 1.492138 -0.554180
C -0.392243 -0.797941 -0.800129
C 0.363801 -1.958212 -0.479326
C -1.772472 -0.779740 -0.488249
C 1.913143 0.918425 0.398900
C -0.158950 2.328751 0.221982
C -2.388674 -1.886471 0.142021
C -0.251924 -3.067612 0.149117
C -1.624250 -3.030491 0.461386
C 4.321837 0.563041 0.648585
C -2.381810 3.351779 0.153676
C 2.554440 -3.065521 -0.473976
C 5.601782 0.913999 -0.103450
C -3.605335 3.346364 -0.757123
C -4.571078 -0.773873 0.206164
H 1.097515 0.022703 -2.122096
H -0.467812 0.887755 -2.147387
H 1.389266 2.208560 -1.216545
H -2.339717 0.119284 -0.744066
H 0.323500 -3.961398 0.406149
H -2.116089 -3.876144 0.951213
H 4.155017 -0.527194 0.721552
H 4.300725 0.982545 1.670686
H -1.938292 4.358109 0.260884
H -2.598710 2.965309 1.165744
H 3.565384 -2.823675 -0.836139
H 2.200236 -3.993003 -0.965768
H 2.572388 -3.211000 0.623701
H 6.476612 0.497043 0.428366
H 5.728647 2.007819 -0.174398
H 5.584859 0.499383 -1.126052
H -4.385615 4.006822 -0.336987
H -4.028056 2.330552 -0.851543
H -3.349412 3.711260 -1.766459
H -5.580632 -1.029374 0.561323
H -4.604407 -0.553480 -0.879937
H -4.199383 0.117350 0.751297


