%chk=000101994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101994

0 1
 O    5.541700     -0.2415000     -0.6383000    
 O   -6.196000     -0.2604000      0.7081000    
 C    2.317500     -0.2501000     -8.0799997E-02
 C    1.438900      0.9677000      0.2975000    
 C   6.2700003E-02  0.9240000     -0.3780000    
 C  -0.6681000     -0.3668000      0.1171000    
 C    3.599600      0.1179000      0.6980000    
 C    1.609400      -1.524000      0.4044000    
 C    2.365100       2.154100      4.6200000E-02
 C   0.1783000      -1.634600     -0.1578000    
 C   -2.153500     -0.4232000     -0.3932000    
 C    3.747800       1.639400      0.4871000    
 C    2.608900     -0.3708000      -1.600700    
 C  -0.7778000       2.142900     -0.1081000    
 C   -2.876000      0.8573000      5.3100001E-02
 C   -2.871000      -1.649500      0.2320000    
 C    4.820500     -0.6387000      0.2756000    
 C   -2.222700     -0.5250000      -1.935200    
 C   -2.101400       2.090100      9.4200000E-02
 C   -4.377900      -1.647500      8.2999999E-03
 C   -4.166800      0.8850000      0.4254000    
 C   -5.002800     -0.3388000      0.4195000    
 C    5.123700      -1.907500       1.025600    
 H    1.262100      0.9476000       1.386500    
 H   0.2051000      0.8883000      -1.463100    
 H  -0.7275000     -0.2949000       1.216800    
 H    3.453400     -5.1800001E-02   1.773800    
 H    1.555700      -1.529800       1.500700    
 H    2.173300      -2.417900      0.1156000    
 H    2.071700       3.037700      0.6221000    
 H    2.378400       2.437500      -1.012000    
 H   0.2198000      -1.839300      -1.232400    
 H  -0.2897000      -2.509200      0.3067000    
 H    4.501200       1.917500     -0.2571000    
 H    4.046700       2.114700       1.429000    
 H    3.162600      0.4881000      -1.992500    
 H    3.205800      -1.265900      -1.811200    
 H    1.699500     -0.4606000      -2.200400    
 H  -0.2933000       3.115100     -0.1013000    
 H   -2.682000      -1.669700       1.314500    
 H   -2.467500      -2.584700     -0.1736000    
 H   -1.696600      0.2955000      -2.432900    
 H   -1.787500      -1.464000      -2.292700    
 H   -3.255900     -0.4892000      -2.298900    
 H   -2.631500       3.017700      0.2959000    
 H   -4.826500      -2.446600      0.6093000    
 H   -4.626900      -1.835100      -1.040900    
 H   -4.656900       1.800300      0.7434000    
 H    5.199900      -1.696200       2.095100    
 H    4.346600      -2.650600      0.8415000    
 H    6.081300      -2.311500      0.6846000    


%chk=000101994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101994

0 1
O 5.662791 -0.289461 -0.618000
O -6.292473 -0.329750 0.795687
C 2.331947 -0.254538 -0.084211
C 1.449530 0.990118 0.274786
C 0.050095 0.924205 -0.382814
C -0.679571 -0.362117 0.119083
C 3.650458 0.145937 0.701343
C 1.604607 -1.526562 0.418859
C 2.377316 2.197837 0.005911
C 0.165824 -1.632927 -0.161494
C -2.167591 -0.429932 -0.394053
C 3.791764 1.683162 0.440771
C 2.634856 -0.366465 -1.602802
C -0.788857 2.153562 -0.116101
C -2.891237 0.839700 0.094791
C -2.880381 -1.683349 0.195984
C 4.889615 -0.662468 0.307096
C -2.232914 -0.457944 -1.952876
C -2.134605 2.092670 0.122383
C -4.411184 -1.676361 -0.006253
C -4.223198 0.831240 0.458077
C -5.067609 -0.372271 0.453438
C 5.155847 -1.945772 1.085699
H 1.284023 0.945759 1.375526
H 0.200225 0.853647 -1.483953
H -0.745535 -0.260129 1.227131
H 3.446182 -0.045734 1.775095
H 1.543015 -1.497449 1.527577
H 2.169069 -2.440564 0.146872
H 2.075854 3.095482 0.574080
H 2.366704 2.470503 -1.066551
H 0.220371 -1.825880 -1.250119
H -0.324890 -2.515227 0.289153
H 4.548856 1.852963 -0.344038
H 4.144630 2.195113 1.353579
H 3.231645 0.484637 -1.970841
H 3.219323 -1.280705 -1.812583
H 1.712713 -0.422661 -2.205698
H -0.280519 3.126905 -0.116159
H -2.662765 -1.730376 1.282762
H -2.460229 -2.599830 -0.258992
H -1.790457 0.450720 -2.396615
H -1.696437 -1.337749 -2.352551
H -3.279182 -0.510985 -2.300187
H -2.694088 3.011001 0.345049
H -4.891830 -2.512458 0.532712
H -4.665016 -1.815868 -1.076865
H -4.716191 1.758889 0.778618
H 5.505473 -1.689023 2.105406
H 4.232681 -2.541148 1.206753
H 5.932743 -2.545346 0.586033


