%chk=000003494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003494

1 1
 O  -0.7238000     -0.5647000     -0.3774000    
 O    2.038900     -0.2703000       1.905100    
 O  -0.4806000      -1.130100       1.843600    
 N   -4.325500     -0.1773000      4.1900001E-02
 C   -2.896500     -0.1642000      0.6228000    
 C   -2.070700     -0.9960000     -0.3427000    
 C   -4.209300     -0.8413000      -1.344300    
 C    2.146800      -1.154600     -0.2892000    
 C   -2.736900     -0.7498000      -1.679900    
 C    1.408900     -0.1901000      0.6226000    
 C    3.642500     -0.8690000     -0.3828000    
 C    2.121500      -2.595000      0.2122000    
 C    4.233800      -2.163500     -0.9323000    
 C    3.248700      -3.272900     -0.5596000    
 C   -5.262900     -0.9753000      0.9333000    
 C   -4.851900       1.244300     -9.3500003E-02
 C  -2.6500000E-02 -0.6855000      0.7962000    
 C    1.434600       1.275400      0.2091000    
 C    1.473300       2.244000       1.190400    
 C    1.418000       1.588800      -1.134200    
 C    1.496400       3.586300      0.8116000    
 C    1.441200       2.931000      -1.513100    
 C    1.480300       3.929700     -0.5401000    
 H   -2.926500     -0.5761000       1.636300    
 H   -2.550200      0.8749000      0.6742000    
 H   -2.118100      -2.063800     -9.1300003E-02
 H   -4.857900     -0.3240000      -2.057700    
 H   -4.524300      -1.886400      -1.247100    
 H    1.719600      -1.161200      -1.300900    
 H   -2.433900      -1.482100      -2.434600    
 H   -2.478700      0.2417000      -2.071800    
 H    4.086700     -0.6642000      0.5983000    
 H    3.875600     -2.1299999E-02  -1.034200    
 H    1.162800      -3.090600      2.8400000E-02
 H    2.340900      -2.681800       1.281200    
 H    5.231300      -2.351000     -0.5221000    
 H    4.332900      -2.106500      -2.022400    
 H    2.858600      -3.742600      -1.470000    
 H    3.725800      -4.058300      3.5300002E-02
 H   -4.853000      -1.982300       1.055800    
 H   -5.330600     -0.4710000       1.901800    
 H   -6.243900      -1.015800      0.4508000    
 H   -4.189700       1.798000     -0.7656000    
 H   -5.864200       1.199700     -0.5061000    
 H   -4.862600       1.702500      0.8999000    
 H    1.755200      -1.083900       2.353300    
 H    1.467500       2.010200       2.250300    
 H    1.369000      0.8409000      -1.917000    
 H    1.522000       4.364400       1.568900    
 H    1.424000       3.199000      -2.565500    
 H    1.496100       4.974900     -0.8351000    


%chk=000003494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003494

1 1
O -0.934627 -1.073822 -0.254711
O 1.977097 -0.341381 1.862938
O -0.315292 -1.836244 1.852330
N -3.849294 0.153462 0.130062
C -3.101686 -0.902353 0.970242
C -2.267424 -1.705693 -0.047181
C -4.208904 -0.628495 -1.155964
C 2.144636 -1.207059 -0.472885
C -3.021630 -1.591715 -1.399252
C 1.288605 -0.420590 0.576672
C 3.551646 -0.554069 -0.699985
C 2.434580 -2.684984 -0.080876
C 4.574404 -1.734002 -0.711652
C 3.717239 -3.015358 -0.881443
C -5.089890 0.662300 0.848325
C -2.929020 1.335875 -0.198672
C -0.033375 -1.186568 0.820951
C 0.953739 1.029082 0.163540
C 0.781295 2.006946 1.175619
C 0.770136 1.401064 -1.191760
C 0.424064 3.332644 0.838199
C 0.414860 2.726940 -1.528808
C 0.234661 3.698038 -0.515096
H -3.863617 -1.547626 1.440001
H -2.504716 -0.414432 1.753880
H -2.119106 -2.738382 0.306331
H -4.386161 0.087828 -1.972396
H -5.143855 -1.173669 -0.944795
H 1.580088 -1.220260 -1.425648
H -3.388069 -2.572082 -1.741187
H -2.327276 -1.209710 -2.163692
H 3.781136 0.160855 0.108235
H 3.568420 0.006866 -1.650894
H 1.593643 -3.367882 -0.304314
H 2.657405 -2.766202 1.002232
H 5.113230 -1.774972 0.252888
H 5.332659 -1.625487 -1.506218
H 3.467217 -3.175423 -1.948507
H 4.224680 -3.925452 -0.517772
H -5.750890 -0.185448 1.085546
H -4.785842 1.168470 1.777353
H -5.617380 1.375200 0.196105
H -2.023889 0.975902 -0.707579
H -3.483295 2.038653 -0.839397
H -2.636631 1.832120 0.739290
H 1.837327 -1.187913 2.362764
H 0.972500 1.725950 2.215141
H 0.917481 0.669686 -1.992529
H 0.319664 4.084313 1.628506
H 0.303826 3.007896 -2.582082
H -0.019673 4.730383 -0.779059


