%chk=000052195.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052195

0 1
 O    1.300100     -9.6100003E-02   3.423600    
 N   -3.831100      0.3552000     -0.4995000    
 N    3.072900     -0.3912000       1.986900    
 C   0.8701000     -4.1200001E-02   1.069100    
 C  -0.5981000      8.0700003E-02   1.479900    
 C    1.314700       1.140600      0.2099000    
 C    1.095800      -1.210900      0.1135000    
 C    1.745200      0.6920000      -1.059600    
 C    1.611400     -0.7476000      -1.118500    
 C   -1.507700      0.1658000      0.2578000    
 C    1.746600     -0.1815000       2.282300    
 C   -2.974400      0.2538000      0.6760000    
 C    1.333100       2.488100      0.5381000    
 C   0.8632000      -2.560700      0.3307000    
 C    2.198100       1.592800      -2.010300    
 C    1.897800      -1.636000      -2.142700    
 C    1.789500       3.394700     -0.4203000    
 C    1.151900      -3.454900     -0.7017000    
 C    2.217800       2.951400      -1.682100    
 C    1.664500      -2.997000      -1.926400    
 C   -5.233600      0.4296000     -0.1152000    
 C   -5.633000     -0.8150000      0.6726000    
 C   -6.094700      0.5873000      -1.364300    
 H  -0.8960000     -0.7838000       2.088900    
 H  -0.7522000      0.9677000       2.109200    
 H   -1.267000       1.049200     -0.3452000    
 H   -1.393600     -0.7116000     -0.3888000    
 H   -3.187500     -0.6490000       1.256500    
 H   -3.118100       1.123600       1.328600    
 H    1.005000       2.835600       1.511600    
 H   0.4687000      -2.919800       1.275000    
 H    2.531500       1.266300      -2.989700    
 H    2.293000      -1.297900      -3.094800    
 H    1.814500       4.456200     -0.1886000    
 H   0.9789000      -4.518000     -0.5575000    
 H   -3.575400       1.180400      -1.041200    
 H    2.569100       3.675500      -2.412500    
 H    1.881800      -3.711700      -2.715900    
 H    3.754200     -0.4965000       2.731500    
 H    3.438200     -0.4400000       1.041800    
 H   -5.402000       1.314100      0.5126000    
 H   -6.723600     -0.8657000      0.7743000    
 H   -5.312400      -1.735700      0.1716000    
 H   -5.234400     -0.8116000       1.692000    
 H   -5.821500       1.490900      -1.920500    
 H   -7.153700      0.6723000      -1.097200    
 H   -5.986300     -0.2707000      -2.037600    


%chk=000052195-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052195

0 1
O 1.544493 0.877622 3.222288
N -3.951740 0.310063 -0.343791
N 2.948976 -0.733593 2.330535
C 0.960308 -0.005867 0.990598
C -0.539800 0.046298 1.432595
C 1.358811 1.179406 0.088639
C 1.265133 -1.199877 0.080619
C 1.814854 0.713661 -1.179573
C 1.754890 -0.760397 -1.187000
C -1.548148 0.159431 0.271704
C 1.833961 0.075787 2.285191
C -3.003229 0.155725 0.781247
C 1.318566 2.552479 0.381456
C 1.088507 -2.571795 0.340152
C 2.223793 1.630277 -2.172712
C 2.080223 -1.696476 -2.193266
C 1.728283 3.472026 -0.616887
C 1.414031 -3.511549 -0.670772
C 2.173901 3.014015 -1.882756
C 1.907802 -3.075067 -1.925889
C -5.389622 0.418076 0.020781
C -5.928354 -0.939656 0.523826
C -6.177044 0.894526 -1.216959
H -0.755973 -0.866729 2.024548
H -0.645444 0.900032 2.127349
H -1.358375 1.095647 -0.292080
H -1.423242 -0.675480 -0.442876
H -3.205800 -0.808429 1.286890
H -3.125371 0.955369 1.558537
H 0.992916 2.899498 1.367837
H 0.699295 -2.915541 1.305501
H 2.573833 1.283333 -3.151499
H 2.454842 -1.366778 -3.168778
H 1.704894 4.547375 -0.407733
H 1.280349 -4.582645 -0.482902
H -3.671330 1.101630 -0.942087
H 2.486336 3.740368 -2.641506
H 2.152758 -3.814090 -2.696941
H 3.572315 -0.655063 3.133875
H 3.163291 -1.387689 1.578645
H -5.538764 1.169897 0.840214
H -7.003450 -0.861779 0.770112
H -5.793931 -1.706957 -0.259878
H -5.399603 -1.278378 1.432690
H -5.821140 1.884117 -1.564374
H -7.253628 0.984296 -0.986948
H -6.052074 0.172584 -2.044720


