%chk=000115369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115369

0 1
 O   -4.534900       3.116300      0.6448000    
 O   0.3645000       2.788200      0.3711000    
 O   -8.392100     -0.4091000     -0.6718000    
 O   -7.625500      -2.564700     -0.8311000    
 O    5.228100     -0.3061000       2.264300    
 O    7.369700     -0.9508000      0.6316000    
 O    7.187300     -0.6400000      -2.101300    
 N  -0.4452000      0.6141000      0.1449000    
 N   -5.934800      0.5565000     -5.5500001E-02
 N    2.776100      0.7189000      0.8581000    
 C   -2.501300     -0.4811000      0.5163000    
 C   -1.504600      -1.522300      0.1502000    
 C   -2.050300      -1.490000       1.549300    
 C  -0.2036000     -0.8330000     -0.1375000    
 C   -1.805600      0.8305000      0.4080000    
 C   -3.982600     -0.4344000      0.1728000    
 C   -4.611700      0.7895000      0.2145000    
 C   -2.440400       2.019200      0.4619000    
 C   -4.910000      -1.432900     -0.1501000    
 C   -3.950500       2.050500      0.4744000    
 C   0.5609000       1.596100      0.1402000    
 C   -6.122700     -0.7876000     -0.2912000    
 C    1.916900       1.121700     -0.1228000    
 C   -7.392100      -1.359300     -0.6156000    
 C    2.550200      0.9976000      -1.332400    
 C    3.973300      0.3286000      0.3014000    
 C    3.857200      0.4944000      -1.080400    
 C    5.137900     -0.1537000      0.9090000    
 C    4.956100      0.1631000      -1.898000    
 C   -9.712600     -0.8643000     -0.9885000    
 C    6.214900     -0.4756000      7.8100003E-02
 C    6.127500     -0.3206000      -1.304000    
 C    4.296800      -1.193400       2.875500    
 C    7.476200      -2.362800      0.7872000    
 C    8.126900      0.3967000      -2.373500    
 H   -1.762500      -2.333000     -0.5119000    
 H   -1.405600      -1.159200       2.355600    
 H   -2.723200      -2.290400       1.835700    
 H   7.9800002E-02 -0.9328000      -1.190500    
 H   0.6037000      -1.208800      0.4985000    
 H   -1.956600       2.982800      0.3838000    
 H   -4.733500      -2.494300     -0.2558000    
 H   -6.656900       1.263000     -9.7900003E-02
 H    2.566500      0.7230000       1.846200    
 H    2.126200       1.239200      -2.297800    
 H    4.893800      0.2811000      -2.976400    
 H   -10.05890      -1.572200     -0.2299000    
 H   -10.37920      2.0000001E-03 -0.9930000    
 H   -9.724300      -1.323800      -1.981200    
 H    3.472900     -0.6246000       3.314300    
 H    4.812900      -1.718900       3.684500    
 H    3.911200      -1.942400       2.174900    
 H    8.446700      -2.585300       1.239200    
 H    7.421300      -2.863500     -0.1846000    
 H    6.689500      -2.740400       1.447800    
 H    8.914400     -1.3400000E-02  -3.011600    
 H    8.581700      0.7590000      -1.446200    
 H    7.643100       1.223700      -2.902800    


%chk=000115369-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115369

0 1
O -4.493628 2.107221 2.166732
O 0.233512 0.682887 1.959884
O -8.826635 0.572644 -0.439347
O -8.514515 -1.202260 -1.944152
O 5.265363 0.793411 2.403249
O 7.698141 0.095469 0.741073
O 7.259159 -1.066773 -1.797533
N -0.770765 -0.478242 0.199131
N -6.213074 0.589105 0.302559
N 2.749678 0.192735 1.205254
C -3.021161 -1.086813 -0.209395
C -2.128687 -1.853619 -1.216888
C -2.679623 -2.607067 -0.020738
C -0.710130 -1.318829 -1.041705
C -2.116326 -0.158744 0.544551
C -4.424377 -0.654336 -0.324631
C -4.860184 0.406757 0.506511
C -2.574777 0.853786 1.362794
C -5.557986 -1.125985 -1.046301
C -4.012252 1.180250 1.425267
C 0.358393 0.013073 0.879055
C -6.660171 -0.332021 -0.643883
C 1.720780 -0.239930 0.353456
C -8.048536 -0.401410 -1.096493
C 2.317368 -0.766105 -0.816348
C 3.975678 -0.046889 0.614608
C 3.744192 -0.651275 -0.666576
C 5.274303 0.211581 1.132288
C 4.857516 -0.983403 -1.490871
C -10.258593 0.598877 -0.811027
C 6.369094 -0.147634 0.311964
C 6.137995 -0.716959 -1.000247
C 6.515550 1.123178 3.110313
C 8.488942 -1.133044 1.001392
C 7.995141 0.095498 -2.347721
H -2.480881 -2.076154 -2.225927
H -2.001296 -2.880879 0.793708
H -3.520881 -3.286198 -0.179897
H -0.410066 -0.694860 -1.905005
H 0.023453 -2.132330 -0.910232
H -1.888687 1.474792 1.939117
H -5.616632 -1.929877 -1.777997
H -6.789070 1.291558 0.769370
H 2.567792 0.642099 2.104354
H 1.816373 -1.165065 -1.692749
H 4.745419 -1.426403 -2.483877
H -10.732520 -0.368439 -0.573433
H -10.691818 1.410037 -0.209352
H -10.369846 0.801136 -1.889641
H 7.086645 0.209211 3.351322
H 6.178332 1.613293 4.036698
H 7.144230 1.801446 2.512216
H 9.495885 -0.781640 1.274933
H 8.530129 -1.760851 0.094635
H 8.044624 -1.703307 1.840443
H 8.828356 -0.330599 -2.927640
H 8.379377 0.735335 -1.532996
H 7.334699 0.683561 -3.013472


