%chk=000000511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000511

1 1
 S    1.484800      -3.405100      -1.048700    
 P    4.056800      0.5574000     -0.6737000    
 P    1.428000       1.863000     -0.4495000    
 P  -0.4870000       3.585900      0.9885000    
 O    3.499500     -0.8932000     -0.2225000    
 O    2.979700       1.607200     -8.4100001E-02
 O    5.356100      0.7969000      0.2600000    
 O    4.315800      0.7033000      -2.145000    
 O   0.9602000       2.952300      0.6481000    
 O   0.6892000      0.5067000      2.7500000E-02
 O    1.163100       2.257300      -1.872700    
 O   -1.319600       2.317700       1.546300    
 O  -0.2126000       4.468700       2.314100    
 O   -1.131500       4.321000     -0.1496000    
 N  -0.7704000      -2.997200     -3.3000000E-02
 N   -4.019900      0.4173000      3.1500001E-02
 N   -2.598700      0.2438000      -1.906900    
 N   -4.105600      -1.348500       1.612300    
 C   0.1197000      -2.657500      0.9613000    
 C    1.426600      -2.824200      0.5694000    
 C   -2.203600      -2.915100      0.1180000    
 C    2.706400      -2.575700       1.331800    
 C  -0.2225000      -3.410800      -1.155300    
 C    3.217900      -1.150100       1.142700    
 C  -0.4163000      -2.186900       2.247000    
 C   -2.679800      -1.553300     -0.3075000    
 C   -3.590600     -0.8047000      0.4096000    
 C   -2.213100     -0.9728000      -1.469300    
 C   -3.491000      0.8743000      -1.119600    
 C   -3.941500       2.222300      -1.570400    
 H    2.545800      -2.771700       2.398000    
 H    3.472100      -3.284700      0.9922000    
 H   -2.683800      -3.665200     -0.5250000    
 H   -2.482400      -3.189600       1.137500    
 H  -0.7738000      -3.729500      -2.029500    
 H    2.488700     -0.4269000       1.517800    
 H    4.139300      -1.024500       1.720800    
 H   -1.059000      -1.311400       2.121100    
 H  -0.9756000      -2.976300       2.758200    
 H   0.3887000      -1.882100       2.923900    
 H   -1.517000      -1.457400      -2.140600    
 H   -4.289200      -2.343500       1.648000    
 H   -4.748600     -0.7542000       2.122800    
 H   -4.893100       2.135400      -2.102700    
 H   -4.076600       2.888900     -0.7129000    
 H   -3.205600       2.677800      -2.240400    
 H    5.938700       1.563900      7.4199997E-02
 H  -0.2737000      0.4133000     -0.1291000    
 H   -2.277700       2.421300       1.729400    
 H  -0.9376000       5.022700       2.674200    


%chk=000000511-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000511

1 1
S 1.591877 -3.345628 -0.276283
P 2.932085 0.379386 -1.791071
P 0.759702 2.531572 -0.760971
P 0.542361 2.080788 2.339371
O 2.903977 -0.772474 -0.527014
O 2.317650 1.853419 -1.114168
O 4.589995 0.770804 -1.804819
O 2.214524 -0.187746 -3.073640
O 0.354800 1.539321 0.687603
O -0.344838 2.078453 -1.829986
O 0.981555 4.032391 -0.250197
O 0.626618 3.756930 2.278013
O -1.035142 1.778290 2.953329
O 1.652510 1.224152 3.075164
N -0.635421 -2.798044 0.907132
N -4.392467 -0.465884 -1.225267
N -2.208628 0.454102 -1.237946
N -4.958199 -2.264879 0.116620
C 0.338810 -2.172511 1.745218
C 1.622342 -2.345302 1.241521
C -2.105959 -2.593330 1.053853
C 2.943417 -1.775579 1.677077
C -0.135269 -3.464789 -0.160852
C 3.315097 -0.496139 0.872885
C -0.069295 -1.477006 3.011264
C -2.607219 -1.492123 0.122740
C -3.982173 -1.416260 -0.317077
C -1.761017 -0.494931 -0.357618
C -3.511672 0.445164 -1.682532
C -3.937386 1.469869 -2.689828
H 2.911047 -1.499040 2.745337
H 3.736260 -2.534187 1.553377
H -2.601449 -3.554649 0.822184
H -2.310098 -2.361659 2.113279
H -0.754027 -3.970949 -0.898091
H 2.766782 0.372686 1.268754
H 4.402497 -0.316932 0.910126
H -0.860229 -0.721176 2.852200
H -0.420699 -2.204753 3.766715
H 0.781148 -0.919405 3.433124
H -0.717147 -0.382228 -0.053034
H -4.821891 -2.962836 0.844179
H -5.896908 -2.135341 -0.266757
H -4.195758 0.974439 -3.643104
H -4.849372 1.984083 -2.343179
H -3.144906 2.209936 -2.879894
H 4.857735 1.568774 -2.328715
H -1.461628 1.207040 -1.563914
H 0.850315 4.133881 1.322516
H -1.494609 2.586601 3.300578


