%chk=000018316.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018316

0 1
 O    5.849400      0.4087000     -1.7999999E-02
 O    7.261100      -1.420700     -4.0899999E-02
 C   -2.893800     -0.3728000      7.7600002E-02
 C   -1.593300      0.4354000      0.1054000    
 C   -4.152400      0.4992000      7.2999999E-02
 C  -0.3349000     -0.4352000      8.5100003E-02
 C   -5.418500     -0.3605000      3.3000000E-02
 C   0.9320000      0.4233000      8.2599998E-02
 C   -6.710900      0.4607000     -3.7000000E-03
 C    2.192000     -0.4439000      9.6100003E-02
 C   -8.011500     -0.3471000     -6.5899998E-02
 C    3.456000      0.4120000      6.0100000E-02
 C   -9.302700      0.4743000     -4.6200000E-02
 C    4.714000     -0.4444000      2.9999999E-02
 C   -10.55980     -0.3687000     -0.1928000    
 C    7.062300     -0.2162000     -4.9699999E-02
 C    8.111200      0.8234000     -9.5100001E-02
 C    9.399800      0.4724000     -0.1306000    
 H   -2.918500      -1.040100      0.9480000    
 H   -2.895900      -1.013800     -0.8128000    
 H   -1.583300       1.066400       1.002800    
 H   -1.577000       1.112700     -0.7575000    
 H   -4.133200       1.166100     -0.7972000    
 H   -4.165400       1.132900      0.9676000    
 H  -0.3467000      -1.076900     -0.8041000    
 H  -0.3339000      -1.095000      0.9610000    
 H   -5.387800      -1.010600     -0.8502000    
 H   -5.439100      -1.019000      0.9100000    
 H   0.9365000       1.066300     -0.8061000    
 H   0.9325000       1.082700      0.9590000    
 H   -6.677900       1.133800     -0.8698000    
 H   -6.742000       1.103300      0.8853000    
 H    2.180900      -1.117800     -0.7692000    
 H    2.197800      -1.072200      0.9950000    
 H   -8.029700      -1.049100      0.7773000    
 H   -7.994600     -0.9593000     -0.9765000    
 H    3.445100       1.068600     -0.8191000    
 H    3.489100       1.078300      0.9312000    
 H   -9.357400       1.039500      0.8917000    
 H   -9.274800       1.209600     -0.8590000    
 H    4.764000      -1.069100      0.9296000    
 H    4.706800      -1.091000     -0.8555000    
 H   -10.55510     -0.9154000      -1.141100    
 H   -11.44960      0.2680000     -0.1705000    
 H   -10.63910      -1.095100      0.6221000    
 H    7.820000       1.867800     -9.8999999E-02
 H    10.16950       1.236400     -0.1640000    
 H    9.722500     -0.5629000     -0.1278000    


%chk=000018316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018316

0 1
O 5.955545 0.445287 0.025533
O 7.370122 -1.417103 0.002413
C -2.929400 -0.404792 -0.008268
C -1.630572 0.432478 0.000537
C -4.212836 0.455922 -0.003416
C -0.347217 -0.428352 -0.004814
C -5.511943 -0.380958 -0.011549
C 0.950220 0.410655 0.005486
C -6.795620 0.479717 -0.006774
C 2.233032 -0.450933 -0.001045
C -8.094919 -0.357087 -0.015037
C 3.524167 0.400961 0.013151
C -9.378787 0.504199 -0.009767
C 4.778338 -0.472323 0.004924
C -10.671435 -0.340382 -0.018257
C 7.213375 -0.170732 0.022250
C 8.281665 0.862990 0.045316
C 9.595141 0.518138 0.046644
H -2.936970 -1.078437 0.874228
H -2.934144 -1.064173 -0.901497
H -1.626064 1.091553 0.893976
H -1.623553 1.106266 -0.881828
H -4.205678 1.129242 -0.886215
H -4.208026 1.115791 0.889511
H -0.351596 -1.086555 -0.898831
H -0.355084 -1.102741 0.877030
H -5.516999 -1.040845 -0.904437
H -5.519406 -1.054308 0.871204
H 0.957617 1.085349 -0.875822
H 0.954848 1.067739 0.900035
H -6.788378 1.153096 -0.889568
H -6.790883 1.139505 0.886254
H 2.228344 -1.105782 -0.897187
H 2.223193 -1.126856 0.879265
H -8.103727 -1.030680 0.867571
H -8.101493 -1.016705 -0.908167
H 3.541814 1.071659 -0.867419
H 3.537444 1.048119 0.911252
H -9.371076 1.162778 0.882849
H -9.368845 1.177046 -0.891641
H 4.835056 -1.134071 0.889527
H 4.843718 -1.105147 -0.900010
H -10.717723 -0.983880 -0.917226
H -11.574364 0.297737 -0.012400
H -10.718168 -1.000919 0.868248
H 7.948376 1.905870 0.061062
H 10.386637 1.274435 0.063700
H 9.889954 -0.537770 0.030409


