%chk=000039848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039848

0 1
 O   -2.118800       2.328300      0.5799000    
 O   -3.432600       2.269300      -1.319500    
 C    2.850100       2.260800      0.7373000    
 C    1.589400       2.254000     -0.1334000    
 C    4.183100       2.220700     -2.0199999E-02
 C   0.2908000       2.313600      0.6769000    
 C    4.372200       1.020700     -0.9537000    
 C  -0.9438000       2.290400     -0.2171000    
 C    4.356400     -0.2949000     -0.2289000    
 C    3.380900      -2.622000      0.1799000    
 C    3.471800      -1.271500     -0.4805000    
 C    2.110700      -2.963900      0.9710000    
 C   -2.653900      -2.331400      0.2011000    
 C   -1.369200      -2.112400     -0.6045000    
 C   -3.910500      -2.361000     -0.6728000    
 C   0.8769000      -2.970800      0.1123000    
 C  -0.1379000      -2.105500      0.2543000    
 C   -5.161000      -2.592400      0.1607000    
 C   -3.304000       2.312500     -0.1035000    
 C   -4.450500       2.355500      0.8607000    
 H    2.841800       3.166000       1.357700    
 H    2.805600       1.416200       1.435900    
 H    1.626500       3.106100     -0.8230000    
 H    1.570300       1.347500     -0.7483000    
 H    5.000700       2.245100      0.7116000    
 H    4.275000       3.137800     -0.6156000    
 H   0.2461000       1.470100       1.377100    
 H   0.2739000       3.218600       1.296500    
 H    3.623000       1.044200      -1.753300    
 H    5.345800       1.118000      -1.449900    
 H  -0.9315000       3.158400     -0.8871000    
 H  -0.9460000       1.376100     -0.8220000    
 H    5.114900     -0.4494000      0.5341000    
 H    4.234700      -2.740300      0.8602000    
 H    3.522200      -3.378400     -0.6038000    
 H    2.730400      -1.093700      -1.258000    
 H    2.223600      -3.957600       1.420600    
 H    2.001000      -2.254300       1.800500    
 H   -2.577600      -3.276300      0.7545000    
 H   -2.753400      -1.534900      0.9500000    
 H   -1.428900      -1.150400      -1.127600    
 H   -1.292800      -2.885300      -1.379300    
 H   -3.823100      -3.156600      -1.421600    
 H   -4.006600      -1.412800      -1.214400    
 H   0.8244000      -3.735400     -0.6587000    
 H  -8.2000002E-02  -1.337600       1.022000    
 H   -5.107600      -3.547900      0.6920000    
 H   -5.293000      -1.794900      0.8990000    
 H   -6.046800      -2.610000     -0.4820000    
 H   -4.396000       3.266900       1.461300    
 H   -5.392300       2.360900      0.3044000    
 H   -4.428400       1.469700       1.500500    


%chk=000039848-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039848

0 1
O -2.056647 2.278736 0.647081
O -3.360040 1.314198 -1.030100
C 2.948222 2.268330 0.715280
C 1.686845 2.252923 -0.177543
C 4.281993 2.260227 -0.070126
C 0.382221 2.338103 0.649638
C 4.480784 1.019123 -0.991045
C -0.852965 2.179637 -0.236102
C 4.408756 -0.296123 -0.240740
C 3.395244 -2.578838 0.292927
C 3.500365 -1.279695 -0.476315
C 2.036968 -2.729815 1.052199
C -2.777270 -2.240322 0.095025
C -1.461844 -2.030557 -0.703544
C -4.032533 -2.213220 -0.806343
C 0.830323 -2.791900 0.137165
C -0.237401 -1.951616 0.184037
C -5.341761 -2.417981 -0.014143
C -3.260474 1.804975 0.119048
C -4.379668 1.964378 1.126516
H 2.921123 3.164556 1.368820
H 2.918047 1.385531 1.384983
H 1.730369 3.095366 -0.899209
H 1.673955 1.320617 -0.775918
H 5.121806 2.305644 0.653154
H 4.352797 3.176430 -0.691746
H 0.377422 1.540401 1.417848
H 0.334043 3.304686 1.187027
H 3.726618 1.024058 -1.800994
H 5.470993 1.114871 -1.483342
H -0.925531 2.976844 -0.999635
H -0.872007 1.202557 -0.752121
H 5.148922 -0.435875 0.565178
H 4.226350 -2.653487 1.020980
H 3.499601 -3.437858 -0.403233
H 2.753004 -1.131931 -1.272059
H 2.089056 -3.662984 1.652451
H 1.923666 -1.891146 1.765981
H -2.723141 -3.202380 0.644050
H -2.866232 -1.445146 0.865432
H -1.570862 -1.091506 -1.287269
H -1.340763 -2.850244 -1.439473
H -3.940853 -3.001179 -1.581893
H -4.067810 -1.242513 -1.338700
H 0.837459 -3.596887 -0.616931
H -0.242816 -1.149573 0.942792
H -5.341971 -3.388812 0.517314
H -5.472107 -1.621579 0.744181
H -6.224499 -2.395604 -0.679652
H -4.485981 3.024936 1.412503
H -5.321944 1.598211 0.694315
H -4.145834 1.399233 2.045550


