%chk=000094089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094089

0 1
 O    2.514200      -1.543500       2.009100    
 O    1.977000       3.080700      -1.066500    
 O    1.060800       2.039000      0.7421000    
 N    2.201600      -1.061400     -0.2703000    
 C    3.032600       1.117700     -0.3163000    
 C    2.618000     -4.1900001E-02  -1.205100    
 C    1.501400      -2.248200     -0.7124000    
 C    3.417400      0.4718000       1.013700    
 C   0.1054000      -1.938200      -1.245200    
 C    2.653700     -0.8325000       1.024500    
 C  -0.7987000      -1.299600     -0.1860000    
 C   -2.223900      -1.033600     -0.6819000    
 C   -3.154100     -0.3195000      0.3036000    
 C    1.914800       2.103100     -0.1297000    
 C   -4.541100     -2.5200000E-02 -0.2708000    
 C   -5.454600      0.6031000      0.7824000    
 C   -6.824500      0.9283000      0.2088000    
 H    3.890800       1.661300     -0.7288000    
 H    3.468400     -0.4350000      -1.772400    
 H    1.807500      0.2175000      -1.891000    
 H    2.106600      -2.720000      -1.494400    
 H    1.432900      -2.955500      0.1217000    
 H    4.486300      0.2332000       1.035200    
 H    3.161100       1.072800       1.890400    
 H  -0.3509000      -2.875100      -1.587300    
 H   0.1625000      -1.283000      -2.121500    
 H  -0.8451000      -1.950200      0.6958000    
 H  -0.3660000     -0.3487000      0.1445000    
 H   -2.680500      -1.989300     -0.9693000    
 H   -2.165000     -0.4324000      -1.598300    
 H   -2.687100      0.6218000      0.6187000    
 H   -3.254200     -0.9391000       1.203300    
 H   -4.444700      0.6486000      -1.130600    
 H   -4.991500     -0.9554000     -0.6378000    
 H   -5.572100     -8.1699997E-02   1.630200    
 H   -5.000000       1.522900       1.168500    
 H   -7.461200       1.375600      0.9784000    
 H   -6.744100       1.638400     -0.6205000    
 H   -7.320100      2.4400000E-02 -0.1593000    
 H    1.253000       3.734300     -0.9626000    


%chk=000094089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094089

0 1
O 2.297875 -1.604265 2.017906
O 2.004495 2.734575 -1.524326
O 1.757876 2.810245 0.780573
N 2.227576 -1.024321 -0.269565
C 3.271673 1.121995 -0.249648
C 2.812432 -0.040067 -1.194770
C 1.486490 -2.204500 -0.736814
C 3.419775 0.460035 1.141228
C 0.075497 -1.871596 -1.279704
C 2.591797 -0.833545 1.061949
C -0.870507 -1.286381 -0.209159
C -2.275653 -0.955499 -0.759678
C -3.229607 -0.388648 0.315932
C 2.272782 2.277175 -0.223567
C -4.635482 -0.048635 -0.228214
C -5.589527 0.511150 0.851582
C -6.991661 0.851563 0.301656
H 4.220984 1.547579 -0.622285
H 3.680731 -0.472579 -1.734222
H 2.083363 0.304956 -1.946423
H 2.081761 -2.720888 -1.518138
H 1.407914 -2.879764 0.135612
H 4.468624 0.200509 1.370455
H 3.042055 1.100731 1.954263
H -0.357534 -2.807224 -1.688691
H 0.154635 -1.168564 -2.135031
H -0.960912 -2.006758 0.629108
H -0.418222 -0.370938 0.223142
H -2.724522 -1.870566 -1.200814
H -2.184349 -0.223756 -1.590476
H -2.778277 0.521780 0.762742
H -3.324457 -1.123206 1.142690
H -4.543121 0.690611 -1.051877
H -5.086606 -0.958434 -0.677562
H -5.682889 -0.228644 1.672780
H -5.136831 1.418056 1.302099
H -7.652859 1.248359 1.094079
H -6.929798 1.612790 -0.499189
H -7.478047 -0.045500 -0.126398
H 1.379124 3.507668 -1.478344


