%chk=000001803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001803

0 1
 O    1.507000      0.3375000     -0.7959000    
 O    3.485800     -0.8749000       1.942100    
 O    3.580600       2.177700      -1.277900    
 O   -1.443000      -2.541000     -0.9941000    
 O   -4.480300      0.6728000      0.2591000    
 N  -0.6209000     -0.4841000     -0.2587000    
 N   -2.945500     -0.9274000     -0.3646000    
 N   -2.497200       2.483200      0.8739000    
 C    2.825900     -0.9316000      0.6950000    
 C   0.7606000     -0.8313000     -0.4208000    
 C    1.389900      -1.371900      0.8501000    
 C    2.650500      0.4425000      6.8700001E-02
 C    3.855800      0.8987000     -0.7342000    
 C  -0.9341000      0.7841000      0.2132000    
 C   -1.646100      -1.401400     -0.5702000    
 C   -2.177100       1.241700      0.4110000    
 C   -3.312000      0.3254000      0.1032000    
 H    3.360700      -1.620000      2.9700000E-02
 H   0.8678000      -1.559400      -1.233800    
 H    1.280700      -2.456600      0.9489000    
 H   0.9498000     -0.9295000       1.753300    
 H    2.415600       1.199000      0.8285000    
 H    4.064100      0.2200000      -1.567700    
 H    4.748800      0.9733000     -0.1072000    
 H    4.374400     -0.5122000       1.787700    
 H  -0.1014000       1.436600      0.4552000    
 H   -3.701500      -1.570800     -0.5819000    
 H    2.782700       2.097600      -1.828000    
 H   -3.468200       2.742800      0.9936000    
 H   -1.763800       3.143900       1.098500    


%chk=000001803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001803

0 1
O 1.570537 0.216093 -0.913254
O 3.427993 -0.578083 2.165876
O 3.644088 1.973219 -1.761717
O -1.397901 -2.339489 -1.463242
O -4.568497 0.737504 0.093566
N -0.647147 -0.463493 -0.235004
N -2.941403 -0.766511 -0.666842
N -2.645582 2.347682 1.239307
C 2.881006 -0.821728 0.831039
C 0.755889 -0.898192 -0.356662
C 1.422256 -1.286925 0.982759
C 2.743569 0.465082 -0.024464
C 3.919597 0.791305 -0.946397
C -0.946586 0.732591 0.449853
C -1.633261 -1.264065 -0.838379
C -2.241721 1.187956 0.596498
C -3.348021 0.399174 0.010184
H 3.482287 -1.576975 0.279784
H 0.746997 -1.725761 -1.084283
H 1.331566 -2.364733 1.186345
H 0.972561 -0.733125 1.826263
H 2.522285 1.325969 0.640031
H 4.141461 -0.093809 -1.581627
H 4.817178 1.047545 -0.355255
H 4.408556 -0.453562 2.111945
H -0.081655 1.292725 0.809907
H -3.681165 -1.334513 -1.091563
H 2.789675 1.809469 -2.239405
H -3.645665 2.545668 1.247264
H -1.989298 2.993683 1.664175


