%chk=000127377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127377

0 1
 O  -0.3838000     -0.1191000      -1.968500    
 O    2.773900      0.4395000       1.815900    
 O    3.543400     -0.7447000     -0.6578000    
 O  -0.4107000       2.143900      -2.384600    
 N    1.379400      -1.610400     -0.3956000    
 C   0.4383000      5.7999999E-03   1.075700    
 C  -0.4268000       1.283000      0.8292000    
 C   9.6799999E-02  -1.208200      0.1675000    
 C    1.898700      0.4051000      0.6988000    
 C   -1.412800       1.218700     -0.3576000    
 C  -0.9506000     -0.9543000     -0.9349000    
 C   -2.132200     -0.1179000     -0.4782000    
 C   0.5996000       2.419300      0.7039000    
 C    1.835100       1.787300      6.7900002E-02
 C   0.3693000     -0.4131000       2.563000    
 C    2.404900     -0.6907000     -0.2119000    
 C  -0.6928000       1.185500      -1.684300    
 C   -2.913900     -0.6075000      0.7232000    
 C    1.524100      -2.846200      -1.141900    
 C   -3.996100      0.4001000       1.122000    
 C   -3.543900      -1.976000      0.4482000    
 H   -1.040100       1.485400       1.717400    
 H  -0.2586000      -2.043400      0.7845000    
 H   -2.114100       2.059300     -0.3525000    
 H   -1.267100      -1.890800      -1.405800    
 H   -2.836000     -4.0600002E-02  -1.323700    
 H   0.8566000       2.786900       1.705600    
 H   0.2304000       3.275300      0.1310000    
 H    1.744600       1.730000      -1.019500    
 H    2.723500       2.391300      0.2835000    
 H    1.052000      -1.244300       2.774100    
 H   0.6308000      0.4186000       3.226900    
 H  -0.6314000     -0.7427000       2.851200    
 H   -2.266400     -0.7303000       1.590100    
 H    2.589500       1.243600       2.330200    
 H    2.573500      -3.017600      -1.395500    
 H   0.9422000      -2.779600      -2.064500    
 H    1.157500      -3.674700     -0.5302000    
 H   -4.684800      0.5926000      0.2923000    
 H   -4.584600      2.1800000E-02   1.965000    
 H   -3.561200       1.354500       1.433700    
 H   -4.209000      -1.940300     -0.4213000    
 H   -4.134100      -2.310300       1.308500    
 H   -2.779700      -2.737200      0.2631000    


%chk=000127377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127377

0 1
O -0.366769 -0.048856 -2.015926
O 2.688927 0.576491 2.006394
O 3.659090 -0.889345 -0.306559
O -0.430964 2.240978 -2.448345
N 1.396796 -1.575825 -0.356617
C 0.386516 0.059237 1.128327
C -0.474401 1.360547 0.849056
C 0.080514 -1.173386 0.179344
C 1.876479 0.446517 0.787482
C -1.469838 1.277135 -0.363169
C -0.955146 -0.930247 -0.946636
C -2.177956 -0.107131 -0.460691
C 0.582311 2.496329 0.675620
C 1.813234 1.802562 0.042164
C 0.272586 -0.379586 2.608008
C 2.431712 -0.724324 -0.033100
C -0.720992 1.296259 -1.701011
C -2.966114 -0.627719 0.764918
C 1.580825 -2.765283 -1.188476
C -4.119874 0.343916 1.112246
C -3.519099 -2.049069 0.494272
H -1.102063 1.557519 1.739041
H -0.326067 -2.008236 0.790376
H -2.157626 2.136302 -0.322182
H -1.213870 -1.871097 -1.457397
H -2.892706 -0.062570 -1.310290
H 0.861921 2.892839 1.668862
H 0.208420 3.335084 0.062637
H 1.680613 1.659232 -1.043694
H 2.750080 2.365527 0.187064
H 0.945306 -1.229094 2.818205
H 0.577191 0.441511 3.277009
H -0.761607 -0.677520 2.860054
H -2.294393 -0.681226 1.641091
H 3.628521 0.400157 1.726672
H 2.665201 -2.915434 -1.320382
H 1.118912 -2.633864 -2.184533
H 1.145898 -3.656946 -0.698769
H -4.813731 0.451794 0.256577
H -4.701700 -0.033209 1.972797
H -3.746633 1.350433 1.374703
H -4.186758 -2.049018 -0.388653
H -4.105595 -2.409698 1.358610
H -2.713751 -2.784087 0.309001


