%chk=000117591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117591

0 1
 O   0.6121000      0.1794000     -5.6499999E-02
 O   -1.874600       2.028100       1.395900    
 O    1.798000       1.226600      -1.714400    
 O    2.857300     -0.4752000       1.263500    
 N    2.898100      0.2416000      5.1800001E-02
 C   -1.833000     -2.8400000E-02  5.2400000E-02
 C   -3.094800      0.3910000     -0.7597000    
 C   -1.738800      -1.570600      0.2521000    
 C  -0.5990000      0.5037000     -0.7272000    
 C   -1.851800      0.6082000       1.469600    
 C   -4.436400      4.3000001E-03 -0.1490000    
 C   -1.663500      -2.402100      -1.022800    
 C    1.774800      0.6014000     -0.6565000    
 C    4.247800      0.5607000     -0.3712000    
 C    2.903800      -1.868700      0.9720000    
 H   -3.042300     -3.1099999E-02  -1.770700    
 H   -3.093500       1.480400     -0.8974000    
 H  -0.8525000      -1.806500      0.8560000    
 H   -2.594700      -1.920600      0.8421000    
 H  -0.5748000      8.0700003E-02  -1.738600    
 H  -0.6615000       1.594500     -0.8323000    
 H  -0.9584000      0.3208000       2.036000    
 H   -2.721100      0.2775000       2.046900    
 H   -4.594400      0.4814000      0.8218000    
 H   -4.530400      -1.078200     -2.8800000E-02
 H   -5.248300      0.3316000     -0.8074000    
 H   -1.614900      -3.465800     -0.7661000    
 H   -2.544900      -2.258300      -1.653400    
 H  -0.7699000      -2.168400      -1.607800    
 H   -1.882000       2.361400       2.309400    
 H    4.782000     -0.3632000     -0.6069000    
 H    4.759600       1.076100      0.4464000    
 H    4.240500       1.201800      -1.256400    
 H    3.880700      -2.149200      0.5677000    
 H    2.109100      -2.156100      0.2761000    
 H    2.752400      -2.414300       1.907600    


%chk=000117591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117591

0 1
O 0.662991 0.020179 -0.198364
O -1.855943 2.047896 1.281132
O 1.856874 1.379663 -1.707355
O 2.819897 -0.514529 1.227008
N 2.961436 0.120960 -0.074810
C -1.783333 -0.053474 0.018333
C -3.088398 0.397403 -0.714209
C -1.706139 -1.600343 0.209166
C -0.609219 0.474702 -0.833269
C -1.699684 0.588671 1.425690
C -4.411301 -0.054262 -0.059589
C -1.749528 -2.437350 -1.088078
C 1.822200 0.590189 -0.725389
C 4.277315 0.734525 -0.273119
C 2.663250 -1.979255 1.057935
H -3.056944 0.026567 -1.758510
H -3.079326 1.502020 -0.767854
H -0.771577 -1.834319 0.755668
H -2.539283 -1.914212 0.868824
H -0.640503 0.087055 -1.867286
H -0.616136 1.577363 -0.861404
H -0.716414 0.339143 1.873444
H -2.505819 0.181375 2.071310
H -4.506990 0.333283 0.970650
H -4.507058 -1.154944 -0.024062
H -5.270435 0.334667 -0.636248
H -1.696740 -3.515757 -0.850252
H -2.681915 -2.268506 -1.656706
H -0.898562 -2.203976 -1.753220
H -1.532785 2.496966 2.099917
H 5.058399 -0.044755 -0.271769
H 4.497302 1.470826 0.522970
H 4.267316 1.246358 -1.247667
H 3.514405 -2.404441 0.494612
H 1.710641 -2.205164 0.548205
H 2.652705 -2.370024 2.088495


