%chk=000035948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035948

0 1
 O    6.529100       1.846600      0.1283000    
 O    1.934100      -1.024100     -2.6100000E-02
 O   9.7499996E-02  -3.057000     -0.4326000    
 O    1.076900       1.425600      0.9390000    
 O   -3.944100     -0.4294000       2.229900    
 N    4.601100     -0.1511000     -0.4986000    
 C    6.043000     -0.4224000     -0.5793000    
 C    4.341700       1.273100     -0.7512000    
 C    3.862000     -0.9882000      -1.441500    
 C    6.793400      0.4707000      0.4045000    
 C    5.132800       2.126800      0.2359000    
 C    2.369200     -0.7170000      -1.344100    
 C   0.6075000     -0.8191000      0.2501000    
 C  -0.3079000      -1.846500      4.3099999E-02
 C   0.1859000      0.4154000      0.7343000    
 C   -2.086400     -0.4016000      0.8092000    
 C   -1.658200      -1.637200      0.3234000    
 C   -1.164400      0.6246000       1.014600    
 C   -3.494400     -0.1832000       1.101000    
 C   -4.452400      0.3380000      7.9700001E-02
 C   -3.980500      0.6191000      -1.181300    
 C   -5.767500      0.5151000      0.4414000    
 C   0.4762000      -4.038000      0.5308000    
 C   0.5574000       2.656800       1.437300    
 C   -4.874800       1.105400      -2.135000    
 C   -6.661700       1.001300     -0.5123000    
 C   -6.215300       1.296500      -1.800500    
 H    6.247300      -1.471000     -0.3346000    
 H    6.410000     -0.2323000      -1.596400    
 H    4.628400       1.538700      -1.777000    
 H    3.293700       1.542200     -0.6057000    
 H    4.041400      -2.041800      -1.192900    
 H    4.197400     -0.8254000      -2.473300    
 H    6.521100      0.2469000       1.443200    
 H    7.871900      0.3124000      0.3035000    
 H    4.989000       3.188300      1.0100000E-02
 H    4.804400       1.960400       1.269200    
 H    2.080700      0.2965000      -1.640700    
 H    1.860400      -1.395000      -2.042000    
 H   -2.374200      -2.439600      0.1609000    
 H   -1.557300       1.562200       1.394200    
 H   -2.946500      0.4837000      -1.478500    
 H   -6.138200      0.2926000       1.437000    
 H    1.323100      -3.685000       1.127700    
 H  -0.3685000      -4.280900       1.183200    
 H   0.7779000      -4.943500     -2.7000001E-03
 H   0.1237000       2.537600       2.436100    
 H  -0.1415000       3.115900      0.7298000    
 H    1.403500       3.344600       1.538800    
 H   -4.527700       1.335400      -3.138200    
 H   -7.705700       1.150200     -0.2523000    
 H   -6.911600       1.675100      -2.543000    


%chk=000035948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035948

0 1
O 6.972091 0.239033 1.420237
O 1.831118 -0.443929 -0.620138
O -0.260106 -2.315640 -0.979775
O 1.248683 2.128665 0.369165
O -3.780561 1.963819 1.428822
N 4.774396 -0.266377 -0.411361
C 6.102260 -0.901338 -0.602770
C 4.904629 1.038307 0.283413
C 4.017283 -0.213165 -1.678459
C 6.814155 -1.061818 0.749252
C 5.644903 0.847175 1.616886
C 2.618484 0.390454 -1.566727
C 0.518604 -0.051641 -0.338358
C -0.512159 -1.025049 -0.482220
C 0.172517 1.243703 0.168116
C -2.195457 0.606721 0.237869
C -1.856778 -0.694090 -0.205630
C -1.167773 1.564972 0.444381
C -3.593433 1.008669 0.605843
C -4.781363 0.302425 0.011398
C -4.774314 -0.248803 -1.298835
C -5.982872 0.268700 0.769946
C 0.712592 -3.143046 -0.227571
C 0.937642 3.438156 0.957728
C -5.944690 -0.833312 -1.831102
C -7.144687 -0.329778 0.244209
C -7.128370 -0.884217 -1.059110
H 5.960338 -1.897721 -1.064579
H 6.753608 -0.296402 -1.285740
H 5.459543 1.784242 -0.342941
H 3.898913 1.441336 0.499729
H 3.933939 -1.247125 -2.064659
H 4.552140 0.389618 -2.463555
H 6.228951 -1.748747 1.397964
H 7.836388 -1.454002 0.617813
H 5.835544 1.816370 2.106935
H 5.034317 0.202389 2.284911
H 2.633077 1.433990 -1.211816
H 2.125988 0.353798 -2.558789
H -2.609554 -1.477964 -0.320018
H -1.460892 2.538001 0.847992
H -3.868567 -0.192170 -1.910903
H -5.981665 0.725221 1.765249
H 1.694192 -2.644876 -0.173299
H 0.327199 -3.345984 0.790292
H 0.782637 -4.083972 -0.794338
H 0.469041 3.322687 1.952733
H 0.272009 4.026135 0.298046
H 1.908727 3.945304 1.056618
H -5.934193 -1.243698 -2.846789
H -8.062245 -0.362079 0.841906
H -8.033331 -1.344548 -1.471572


