%chk=000101687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101687

0 1
 O   -2.248100     -0.8302000      0.6241000    
 O   -3.699900      0.2920000       1.920900    
 C   0.4510000      0.6678000     -0.1851000    
 C    1.381000     -0.6024000     -0.2205000    
 C  -0.8491000      0.3213000      -1.040700    
 C    2.858700     -0.4220000      0.2815000    
 C   -1.565600     -0.9909000     -0.6403000    
 C    1.216200       1.840300     -0.8668000    
 C   0.6523000      -1.822800      0.3678000    
 C  -0.5802000      -2.161000     -0.4672000    
 C    3.480900      0.8268000     -0.3902000    
 C    2.617000       2.076900     -0.3050000    
 C   -1.890400       1.447100      -1.118100    
 C   7.2700001E-02   1.119500       1.243900    
 C    3.010300     -0.3390000       1.811800    
 C    3.715600      -1.636500     -0.1705000    
 C   -2.616000      -1.435300      -1.680200    
 C   -2.996000       1.399900     -6.9100000E-02
 C   -3.010500      0.2488000      0.9037000    
 H    1.500700     -0.8279000      -1.294000    
 H  -0.4828000      0.1762000      -2.069100    
 H   0.6555000       2.777100     -0.7732000    
 H    1.307100       1.641900      -1.942900    
 H   0.3685000      -1.659800       1.411800    
 H    1.298500      -2.705800      0.3634000    
 H  -0.2402000      -2.504700      -1.453300    
 H   -1.088200      -3.010600      7.6000001E-03
 H    3.659600      0.6148000      -1.453600    
 H    4.465700       1.041200      4.4500001E-02
 H    3.096900       2.879000     -0.8793000    
 H    2.568000       2.437000      0.7273000    
 H   -2.374200       1.390300      -2.103700    
 H   -1.426700       2.438000      -1.116400    
 H   0.9217000       1.498900       1.809400    
 H  -0.6351000       1.953300       1.222000    
 H  -0.3697000      0.3221000       1.842900    
 H    2.495200      -1.162300       2.316400    
 H    2.647900      0.5981000       2.231400    
 H    4.067700     -0.4021000       2.098400    
 H    3.600800      -1.830200      -1.242800    
 H    3.449400      -2.551100      0.3685000    
 H    4.781200      -1.456400      1.6300000E-02
 H   -3.078600      -2.382500      -1.377600    
 H   -3.440700     -0.7234000      -1.777300    
 H   -2.165300      -1.573600      -2.668600    
 H   -3.971000       1.413800     -0.5705000    
 H   -2.934000       2.316900      0.5301000    


%chk=000101687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101687

0 1
O -2.235850 -0.878380 0.660738
O -3.578555 0.314849 2.058812
C 0.457663 0.674340 -0.170453
C 1.388093 -0.603613 -0.212673
C -0.827733 0.331940 -1.038956
C 2.874508 -0.430513 0.287752
C -1.542438 -1.005814 -0.686165
C 1.214959 1.843816 -0.882198
C 0.652444 -1.827296 0.385495
C -0.571788 -2.184558 -0.475252
C 3.495471 0.817503 -0.413356
C 2.630114 2.089148 -0.313798
C -1.887696 1.472983 -1.117570
C 0.065162 1.133068 1.261345
C 3.022418 -0.320742 1.830296
C 3.706064 -1.666203 -0.168914
C -2.615257 -1.402632 -1.723916
C -3.050751 1.378516 -0.079187
C -2.983927 0.259707 0.961094
H 1.503813 -0.817355 -1.304078
H -0.438843 0.182540 -2.069379
H 0.627032 2.779980 -0.810988
H 1.308822 1.606135 -1.964208
H 0.327176 -1.629958 1.423083
H 1.323450 -2.704607 0.423871
H -0.230284 -2.526583 -1.473369
H -1.144091 -3.014609 -0.020587
H 3.643249 0.576586 -1.487969
H 4.502965 1.004686 0.009908
H 3.112635 2.911842 -0.877201
H 2.569860 2.433128 0.736956
H -2.323234 1.478006 -2.133046
H -1.384054 2.447699 -1.004479
H 0.920795 1.576025 1.794579
H -0.712018 1.918016 1.215898
H -0.328764 0.313260 1.881922
H 2.483893 -1.137302 2.344316
H 2.647537 0.633737 2.233507
H 4.091042 -0.399991 2.107649
H 3.546245 -1.883582 -1.242703
H 3.455975 -2.575372 0.406869
H 4.785144 -1.470133 -0.020305
H -3.091902 -2.349688 -1.415784
H -3.407779 -0.643910 -1.833545
H -2.149759 -1.555669 -2.714671
H -4.019729 1.246621 -0.600023
H -3.154278 2.312878 0.498383


