%chk=000085345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085345

0 1
 O   -3.810200      0.4396000      1.5000000E-03
 O    2.131600       1.797100       1.095700    
 O    2.127100       1.800100      -1.099500    
 O    2.682900     -0.9885000      -1.096200    
 O    2.681700     -0.9909000       1.099100    
 N   -2.548700      0.6524000      3.0000001E-04
 N    1.552800       1.625700     -1.0000000E-03
 N    2.083600      -1.049700      1.1000000E-03
 C  -0.2403000     -0.1182000      5.0000002E-04
 C   -1.627100     -0.3963000       0.000000    
 C   0.1870000       1.215400      1.3000000E-03
 C   0.6643000      -1.191600       0.000000    
 C   -2.082100      -1.721800     -1.3000000E-03
 C  -0.7402000       2.251600      1.2000001E-03
 C   0.2019000      -2.509500     -1.4000000E-03
 C   -2.097500       1.958000      7.9999998E-04
 C   -1.166900      -2.773400     -2.2000000E-03
 H   -3.142300      -1.960000     -1.9000000E-03
 H  -0.4270000       3.292700      1.2000001E-03
 H   0.8958000      -3.347400     -1.9000000E-03
 H   -2.873400       2.710100      1.1000000E-03
 H   -1.520900      -3.800400     -3.3000000E-03


%chk=000085345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085345

0 1
O -3.835387 0.356704 -0.174335
O 2.246186 1.057343 1.158828
O 1.930238 2.911817 -0.139465
O 2.463023 -0.335080 -1.241530
O 2.943069 -2.001976 0.243042
N -2.544759 0.648595 -0.171722
N 1.557927 1.768559 0.326636
N 2.136497 -1.173534 -0.316764
C -0.166613 -0.104633 0.007152
C -1.579131 -0.400691 0.008307
C 0.213380 1.283558 -0.032849
C 0.693053 -1.257163 0.040032
C -2.085527 -1.715298 0.179474
C -0.755483 2.270640 -0.257193
C 0.203142 -2.550973 0.242727
C -2.115527 1.945471 -0.346053
C -1.195225 -2.780203 0.340190
H -3.170244 -1.846743 0.178474
H -0.446002 3.316078 -0.324867
H 0.916669 -3.378599 0.285260
H -2.907737 2.677135 -0.504292
H -1.569450 -3.796007 0.494047


