%chk=000158243.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158243

0 1
 O    3.687600      -1.941400     -0.8564000    
 O    5.444800      0.1013000     -0.3013000    
 N   -2.363500     -8.8600002E-02  0.6104000    
 C   -1.005700     -0.1853000      7.6600000E-02
 C  -0.4709000      -1.607200      0.2553000    
 C  -8.0399998E-02  0.8155000      0.7827000    
 C   0.9030000      -1.744600     -0.4015000    
 C    1.378600      0.6025000      0.4582000    
 C    1.846300     -0.6187000     -6.0500000E-02
 C   -3.247000      -1.041600     -6.1200000E-02
 C   -2.876000       1.273600      0.4632000    
 C   -4.655000     -0.9615000      0.5234000    
 C   -2.871800       1.685300      -1.006800    
 C    3.215800     -0.7758000     -0.3229000    
 C    2.294800       1.628000      0.7379000    
 C    4.114700      0.2548000     -5.0299998E-02
 C    3.654600       1.455400      0.4823000    
 C   -5.589200      -1.959000     -0.1441000    
 C   -3.380700       3.107500      -1.185100    
 H  -0.9750000     -6.5000001E-03  -1.005300    
 H   -1.084700      -2.379000     -0.2151000    
 H  -0.3983000      -1.853200       1.323300    
 H  -0.1928000      0.7416000       1.872700    
 H  -0.3188000       1.841800      0.4818000    
 H   0.7831000      -1.769800      -1.492200    
 H    1.333500      -2.704700     -9.1899998E-02
 H   -3.258300     -0.9491000      -1.152800    
 H   -2.940600      -2.068600      0.1560000    
 H   -3.868400       1.402300      0.9048000    
 H   -2.285700       1.981100       1.056600    
 H   -4.635900      -1.148300       1.603800    
 H   -5.122200      1.3200000E-02  0.3608000    
 H   -1.874100       1.680700      -1.452600    
 H   -3.514900       1.045900      -1.618500    
 H    1.951000       2.569800       1.158900    
 H    4.343000       2.266500      0.7040000    
 H   -5.664100      -1.769200      -1.219700    
 H   -5.236500      -2.985200      1.9999999E-04
 H   -6.593900      -1.884100      0.2843000    
 H   -4.407000       3.205600     -0.8166000    
 H   -2.751000       3.820700     -0.6433000    
 H   -3.373400       3.385400      -2.243900    
 H    4.651000      -1.863000     -0.9676000    
 H    5.911300      0.9172000     -5.0900001E-02


%chk=000158243-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158243

0 1
O 3.798302 -2.144740 -0.463992
O 5.550126 -0.112288 -0.313065
N -2.408881 -0.083469 0.421389
C -0.977856 -0.260597 0.006762
C -0.409723 -1.609827 0.520851
C -0.067081 0.857525 0.568364
C 0.986568 -1.891325 -0.071519
C 1.419937 0.610916 0.320027
C 1.912325 -0.692537 0.033495
C -3.322060 -1.020401 -0.289892
C -2.914548 1.316877 0.424275
C -4.743163 -1.090579 0.310158
C -3.038153 2.032970 -0.953411
C 3.299231 -0.864525 -0.172789
C 2.322517 1.700580 0.391141
C 4.191272 0.231165 -0.087200
C 3.710641 1.522018 0.193966
C -5.561464 -2.249872 -0.299791
C -3.515740 3.491839 -0.788639
H -0.885901 -0.254827 -1.112200
H -1.076321 -2.452005 0.266230
H -0.362394 -1.558538 1.625939
H -0.255789 0.926575 1.660559
H -0.331301 1.840125 0.136192
H 0.892403 -2.180578 -1.138967
H 1.451840 -2.761739 0.426798
H -3.399173 -0.784166 -1.383030
H -2.888210 -2.033938 -0.227266
H -3.908143 1.314927 0.910369
H -2.268750 1.923360 1.084012
H -4.653685 -1.220108 1.406046
H -5.285977 -0.140426 0.140592
H -2.059733 2.015475 -1.473370
H -3.748565 1.483610 -1.601867
H 1.936408 2.704022 0.604451
H 4.397515 2.375408 0.254015
H -5.636339 -2.150716 -1.399665
H -5.091838 -3.227685 -0.082337
H -6.588903 -2.271428 0.106683
H -4.497237 3.532204 -0.278422
H -2.800664 4.079136 -0.181228
H -3.622869 3.997994 -1.765343
H 4.785255 -2.080384 -0.561450
H 6.143417 0.671277 -0.230173


