%chk=000043619.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043619

0 1
 O   -1.144200      -1.377500      0.6801000    
 O   -4.425700       1.679100     -0.5185000    
 O    2.544200      0.8175000     -7.7000000E-02
 O    2.972200       2.935500     -0.8705000    
 N   -2.442200      0.5275000      0.1033000    
 N    5.445900      -1.456300     -0.1975000    
 C   -5.156500      -3.316300      0.4010000    
 C   -5.982000      -2.504900     -0.6079000    
 C   -3.656300      -2.987700      0.3225000    
 C   -5.804700     -0.9892000     -0.4185000    
 C   -3.436200      -1.528100      0.1598000    
 C   -4.385400     -0.6463000     -0.1476000    
 C   -2.169300     -0.8087000      0.3425000    
 C   -3.781800      0.6910000     -0.2065000    
 C   -1.479400       1.586300      0.1675000    
 C  -0.1384000       1.336000     -0.1343000    
 C   -1.877400       2.875200      0.5315000    
 C    4.084000      -1.017600      6.8599999E-02
 C   0.7984000       2.367600     -7.2400004E-02
 C    5.614200      -2.867800      0.1567000    
 C    6.408800     -0.6327000      0.5377000    
 C    3.898500      0.4351000     -0.3398000    
 C  -0.9405000       3.906800      0.5935000    
 C   0.3974000       3.653100      0.2915000    
 C    2.193700       2.103500     -0.3858000    
 C    4.625400      -3.743900     -0.5938000    
 C    7.837100      -1.037100      0.2140000    
 H   -5.522300      -3.102900       1.413800    
 H   -5.305800      -4.388400      0.2298000    
 H   -5.674200      -2.782000      -1.624600    
 H   -7.043000      -2.763700     -0.5167000    
 H   -3.159300      -3.355700       1.226900    
 H   -3.211600      -3.511200     -0.5321000    
 H   -6.164300     -0.4700000      -1.313700    
 H   -6.418700     -0.6519000      0.4250000    
 H   0.1721000      0.3476000     -0.4606000    
 H   -2.904200       3.103400      0.8006000    
 H    3.347900      -1.586500     -0.5100000    
 H    3.809100      -1.144200       1.124500    
 H    6.606900      -3.223300     -0.1380000    
 H    5.507800      -3.034600       1.236000    
 H    6.244100     -0.6742000       1.621700    
 H    6.351700      0.4150000      0.2317000    
 H    4.519400       1.116900      0.2466000    
 H    4.110300      0.5689000      -1.407400    
 H   -1.251200       4.906100      0.8839000    
 H    1.115200       4.467200      0.3493000    
 H    4.924500      -4.794200     -0.5010000    
 H    4.600400      -3.507100      -1.663100    
 H    3.611500      -3.674700     -0.1875000    
 H    8.528500     -0.2711000      0.5836000    
 H    7.999300      -1.128200     -0.8655000    
 H    8.126600      -1.974800      0.6982000    


%chk=000043619-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043619

0 1
O -1.265016 -1.007583 1.442307
O -4.348533 1.501628 -1.110198
O 2.529148 0.744288 -0.279717
O 3.127536 2.993326 -0.384162
N -2.509465 0.571193 0.125529
N 5.468164 -1.567286 -0.096448
C -5.361137 -3.124552 1.198738
C -5.989904 -2.709154 -0.159104
C -3.838905 -2.821361 1.250402
C -5.848720 -1.185101 -0.423252
C -3.572663 -1.460181 0.676417
C -4.466685 -0.731137 -0.053655
C -2.303584 -0.672176 0.823766
C -3.836964 0.577354 -0.432501
C -1.547046 1.630246 0.001116
C -0.169125 1.325255 -0.093703
C -1.982075 2.980491 -0.028013
C 4.048192 -1.139932 -0.152679
C 0.772134 2.376289 -0.206855
C 5.722789 -2.873945 -0.757985
C 6.039513 -1.477270 1.275773
C 3.974156 0.378886 -0.349457
C -1.034163 4.017973 -0.159000
C 0.341377 3.726394 -0.243255
C 2.238879 2.108739 -0.299237
C 5.698590 -2.780075 -2.295380
C 7.566835 -1.276178 1.281803
H -5.869063 -2.574695 2.015677
H -5.531653 -4.201518 1.379715
H -5.488930 -3.267121 -0.974890
H -7.057936 -2.992816 -0.182877
H -3.451118 -2.883314 2.284827
H -3.271559 -3.581084 0.674285
H -6.062656 -0.938551 -1.480492
H -6.593691 -0.616533 0.170621
H 0.182428 0.293059 -0.065318
H -3.047288 3.212819 0.035960
H 3.546783 -1.633056 -1.003854
H 3.478930 -1.422912 0.763387
H 6.724742 -3.218012 -0.443775
H 4.998125 -3.655066 -0.413783
H 5.771965 -2.377405 1.885497
H 5.569876 -0.611812 1.779830
H 4.520255 0.932712 0.435136
H 4.379314 0.679724 -1.330889
H -1.376998 5.057331 -0.187762
H 1.092612 4.516873 -0.336047
H 5.914417 -3.766499 -2.747070
H 6.456385 -2.056471 -2.642554
H 4.713962 -2.448600 -2.672937
H 7.938946 -1.183531 2.319279
H 7.831374 -0.359500 0.726697
H 8.097946 -2.123651 0.811583


