%chk=000035957.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035957

0 1
 O   -1.839400      0.7772000     -0.3559000    
 O   -4.446800       1.114600      0.6007000    
 N    2.636400       2.018300     -4.4999998E-03
 N    1.425900      -2.511000      0.1152000    
 N    2.061600     -0.2544000      5.8899999E-02
 N  -0.2466000     -0.8847000     -0.1228000    
 N   0.3727000       1.432900     -0.1839000    
 C    1.659700       1.035000     -4.4300001E-02
 C    1.062600      -1.150500      1.1800000E-02
 C    4.045000       1.743500      0.1397000    
 C   0.4702000      -3.573300      8.0700003E-02
 C   -2.778200     -0.2882000     -0.3886000    
 C  -0.5170000      0.4274000     -0.2151000    
 C   -4.174900      0.2869000     -0.5237000    
 C    4.833900       3.038700      0.1237000    
 C    1.173600      -4.912300      0.1921000    
 C   -5.738600       1.700000      0.5161000    
 H    4.391400       1.103100     -0.6796000    
 H    4.232800       1.219100       1.083500    
 H  -0.2414000      -3.474200      0.9085000    
 H  -9.7400002E-02  -3.547700     -0.8567000    
 H   -2.575800     -0.9480000      -1.240600    
 H   -2.717000     -0.8577000      0.5473000    
 H    2.319200       2.978100     -8.1400000E-02
 H    2.414800      -2.707900      0.2188000    
 H   -4.238800      0.8934000      -1.434700    
 H   -4.910300     -0.5236000     -0.5747000    
 H    4.682000       3.580400     -0.8160000    
 H    4.525700       3.697200      0.9428000    
 H    5.903900       2.835900      0.2323000    
 H    1.879400      -5.056300     -0.6330000    
 H    1.735600      -4.985300       1.129400    
 H   0.4461000      -5.729500      0.1657000    
 H   -6.510400      0.9246000      0.4909000    
 H   -5.894800       2.318900       1.403700    
 H   -5.814400       2.336600     -0.3707000    


%chk=000035957-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035957

0 1
O -1.825917 0.792129 -0.447121
O -4.620783 0.851652 0.707093
N 2.628151 2.000772 -0.052797
N 1.453138 -2.532602 0.133005
N 2.107030 -0.291843 0.048719
N -0.245937 -0.933116 -0.161443
N 0.377625 1.420221 -0.253248
C 1.687639 1.007266 -0.085402
C 1.091738 -1.218551 0.002737
C 4.068290 1.762175 0.122874
C 0.499987 -3.652939 0.118495
C -2.849991 -0.282158 -0.483683
C -0.514618 0.401833 -0.278371
C -4.200038 0.400655 -0.620694
C 4.835227 3.094817 0.102963
C 1.244201 -4.987004 0.295043
C -5.814797 1.689344 0.653638
H 4.430685 1.091361 -0.679759
H 4.240662 1.227293 1.076953
H -0.245991 -3.513436 0.924468
H -0.064544 -3.644456 -0.833673
H -2.641892 -0.945940 -1.342911
H -2.803630 -0.878639 0.443651
H 2.269973 2.952142 -0.148834
H 2.450853 -2.709977 0.256885
H -4.119136 1.256703 -1.324953
H -4.941840 -0.324520 -1.027885
H 4.693937 3.624237 -0.857531
H 4.503642 3.760917 0.921043
H 5.916026 2.913091 0.232932
H 1.971000 -5.152687 -0.521820
H 1.787024 -5.018907 1.258002
H 0.527132 -5.825780 0.284355
H -6.685450 1.142359 0.228964
H -6.037569 1.974883 1.693709
H -5.641128 2.605904 0.050196


