%chk=000048452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048452

0 1
 O   0.9775000     -0.2662000       2.521200    
 O   0.4672000     -0.6457000      -2.131300    
 O    2.036600       3.234300     -0.2503000    
 N    1.599500       1.446300       1.127300    
 N    1.343900       1.257000      -1.196700    
 C    1.233500     -0.7807000      0.1653000    
 C   -1.230500      -1.423800      0.5914000    
 C   0.2174000      -1.914000      0.3693000    
 C   -1.735100     -0.5918000     -0.6093000    
 C   -3.137300      4.8099998E-02 -0.4673000    
 C    2.647700      -1.378700      5.8800001E-02
 C   -2.127000      -2.636600      0.8641000    
 C    1.226700      0.1356000       1.384800    
 C   0.9479000     -7.1500003E-02  -1.154600    
 C   -3.252100      0.8900000      0.8187000    
 C   -3.425900      0.8856000      -1.720600    
 C    2.763500      -2.282400      -1.148000    
 C   -2.254100       2.038000      0.8945000    
 C    1.700500       2.056400     -0.1172000    
 H   -1.252400     -0.8079000       1.494500    
 H   0.1931000      -2.594800     -0.4895000    
 H   0.5157000      -2.524800       1.232700    
 H   -1.737900      -1.210700      -1.514100    
 H   -1.120600      0.2855000     -0.7543000    
 H   -3.890700     -0.7473000     -0.4187000    
 H    2.894100      -1.945300      0.9659000    
 H    3.402300     -0.5854000     -2.0199999E-02
 H   -2.192900      -3.286300     -1.5100000E-02
 H   -1.736300      -3.231300       1.696800    
 H   -3.141300      -2.328000       1.134700    
 H   -4.264000       1.312200      0.8681000    
 H   -3.153800      0.2576000       1.707200    
 H   -3.470200      0.2409000      -2.605400    
 H   -2.657100       1.642000      -1.906100    
 H   -4.392100       1.393300      -1.633100    
 H    2.076700      -3.131100      -1.132600    
 H    2.664800      -1.751400      -2.098100    
 H    3.770900      -2.716700      -1.158900    
 H    1.736300       2.046600       1.935700    
 H    1.292300       1.717500      -2.101000    
 H   -1.225000       1.683600      0.9555000    
 H   -2.343100       2.721400      4.6200000E-02
 H   -2.442900       2.623500       1.801000    


%chk=000048452-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048452

0 1
O 1.093289 -0.090413 2.353350
O 1.075551 -0.844082 -2.443842
O 1.982280 3.340986 -0.650990
N 1.544009 1.579226 0.823642
N 1.599799 1.196944 -1.504208
C 1.325849 -0.792002 0.007934
C -1.234728 -1.362866 0.482404
C 0.207364 -1.865795 0.185398
C -1.764713 -0.382858 -0.598896
C -3.218743 0.131056 -0.403746
C 2.761542 -1.473480 0.163734
C -2.148990 -2.604279 0.632645
C 1.280489 0.234190 1.152253
C 1.286802 -0.176198 -1.398892
C -3.464073 0.803845 0.979120
C -3.607558 1.066527 -1.574865
C 3.035842 -2.664756 -0.773681
C -2.577331 2.031790 1.290351
C 1.733067 2.125281 -0.458644
H -1.214148 -0.838730 1.458937
H 0.196082 -2.473264 -0.738802
H 0.516252 -2.525191 1.018442
H -1.695687 -0.874043 -1.591906
H -1.100601 0.506092 -0.653556
H -3.895954 -0.747745 -0.452962
H 2.825431 -1.799512 1.219181
H 3.539389 -0.697175 0.016253
H -2.258136 -3.133961 -0.333772
H -1.727900 -3.317852 1.365438
H -3.159228 -2.329021 0.982964
H -4.529117 1.109662 1.026252
H -3.326421 0.051951 1.781729
H -3.526600 0.539901 -2.544262
H -2.947608 1.953433 -1.624535
H -4.648242 1.426508 -1.469409
H 2.346064 -3.503228 -0.578791
H 2.939366 -2.387146 -1.836612
H 4.065120 -3.029835 -0.602641
H 1.596660 2.245414 1.601634
H 1.670054 1.582922 -2.451645
H -1.506843 1.758969 1.338029
H -2.693220 2.824246 0.528952
H -2.848663 2.467489 2.269317


