%chk=000047296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047296

0 1
 O   -3.535900      7.8599997E-02  0.2919000    
 O   -4.494100      8.7000001E-03  -1.804600    
 O   -9.496600     -0.1517000     -0.6126000    
 O   -8.395100      3.4200002E-02   1.365800    
 N   0.1518000      5.2200001E-02  0.2470000    
 N    4.976100      -2.376700     -0.2165000    
 N    5.052400       2.312200     -0.2575000    
 N    3.134100       1.205000      0.5126000    
 N    3.095200      -1.194100      0.5337000    
 N    5.044300     -3.2699998E-02 -0.2471000    
 C    1.155900      4.4199999E-02   1.302900    
 C   -1.191700      9.1499999E-02  0.8049000    
 C    2.554600      1.6500000E-02  0.7467000    
 C   -2.233700      5.5700000E-02 -0.3016000    
 C    4.341200      -1.141100      3.6200002E-02
 C    4.377700       1.102700      1.6500000E-02
 C   -5.877100      8.2699999E-02  0.1993000    
 C   -4.583300      5.0700001E-02 -0.5856000    
 C   -7.114900     -3.1599998E-02 -0.6825000    
 C    4.289700      -3.622400      5.8100000E-02
 C    6.315900      -2.412800     -0.7664000    
 C    4.407100       3.584400     -4.6999999E-03
 C    6.403000       2.295200     -0.7814000    
 C   -8.376500     -5.1300000E-02  0.1447000    
 H    1.021800     -0.8282000       1.954800    
 H    1.052400      0.9372000       1.931700    
 H   -1.336700       1.000700       1.401600    
 H   -1.360600     -0.7564000       1.480900    
 H   0.2553000     -0.7840000     -0.3280000    
 H   -2.127700     -0.8600000     -0.8962000    
 H   -2.121200      0.9269000     -0.9585000    
 H   -5.908000       1.022400      0.7633000    
 H   -5.857000     -0.7492000      0.9137000    
 H   -7.164100      0.8189000      -1.371300    
 H   -7.073400     -0.9560000      -1.269400    
 H    4.023800      -3.693900       1.118600    
 H    3.376100      -3.702200     -0.5414000    
 H    4.909100      -4.494200     -0.1784000    
 H    6.345700      -1.925500      -1.747200    
 H    7.023200      -1.907500     -9.9399999E-02
 H    6.676900      -3.437700     -0.9031000    
 H    3.486200       3.676300     -0.5912000    
 H    4.161500       3.690400       1.057700    
 H    5.047200       4.431000     -0.2750000    
 H    7.083500       1.795100     -8.3300002E-02
 H    6.439300       1.774000      -1.744500    
 H    6.793100       3.305200     -0.9459000    
 H   -10.31030     -0.1533000     -6.4700000E-02


%chk=000047296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047296

0 1
O -3.568469 0.292596 0.025989
O -4.391509 -1.425930 -1.317141
O -9.251659 -1.931625 0.275285
O -8.604695 0.131799 1.124788
N 0.109245 0.796741 -0.295985
N 4.047259 -2.067083 -0.784085
N 5.924240 2.042124 0.511487
N 3.576388 1.845854 0.425850
N 2.609432 -0.284096 -0.223344
N 5.037292 -0.033384 -0.142223
C 1.137615 1.579162 0.405825
C -1.243660 0.935482 0.258159
C 2.526835 1.018142 0.169617
C -2.220023 0.134201 -0.606038
C 3.900938 -0.763633 -0.374955
C 4.822191 1.262012 0.259006
C -5.884876 -0.244867 0.265373
C -4.572676 -0.551320 -0.439059
C -6.959403 -1.291567 -0.062358
C 2.852415 -2.875470 -1.086136
C 5.402518 -2.608598 -0.988176
C 5.744507 3.431469 0.972724
C 7.267426 1.449834 0.390032
C -8.307625 -0.916464 0.513722
H 0.986611 1.590551 1.517518
H 1.127615 2.637421 0.085970
H -1.539500 2.002163 0.236656
H -1.335700 0.599664 1.322621
H 0.429952 -0.178200 -0.402633
H -1.969724 -0.942339 -0.639474
H -2.262183 0.522451 -1.637837
H -6.219737 0.765090 -0.036357
H -5.704219 -0.177193 1.352781
H -7.066032 -1.417892 -1.155722
H -6.677499 -2.291302 0.314897
H 2.152011 -2.870853 -0.234123
H 2.310500 -2.483945 -1.966953
H 3.167423 -3.911294 -1.290754
H 5.910095 -2.121290 -1.841845
H 6.026512 -2.438858 -0.094301
H 5.327603 -3.690411 -1.183039
H 4.986135 3.943258 0.359170
H 5.401947 3.472351 2.024189
H 6.707269 3.960833 0.886938
H 7.415958 0.633933 1.121630
H 7.416261 1.020328 -0.615873
H 8.020094 2.234568 0.567270
H -10.128896 -1.654311 0.655512


