%chk=000010309.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010309

0 1
 O   0.4201000       2.951800      -1.095800    
 O   -3.950800      -1.846100     -0.9365000    
 O    4.101000      -1.430200     -0.9726000    
 N   -1.379400      0.3792000      0.1691000    
 N   0.9773000     -0.1663000      0.2197000    
 C  -4.8500001E-02  0.7081000     -0.3743000    
 C   0.2589000       2.155700     -3.3100002E-02
 C   0.3989000       2.783100       1.145200    
 C   0.6803000       4.127100      0.8023000    
 C   -2.035400     -0.4892000     -0.5232000    
 C    1.993000     -0.4072000     -0.5366000    
 C   0.6823000       4.178100     -0.5722000    
 C   -3.363200     -0.9353000     -0.1396000    
 C    3.091400      -1.252300     -0.1017000    
 C   -4.142100     -0.5855000      0.9142000    
 C    3.286500      -1.915700       1.065000    
 C   -5.327500      -1.344700      0.7679000    
 C    4.532000      -2.570900      0.9155000    
 C   -5.161800      -2.095500     -0.3726000    
 C    4.987100      -2.244100     -0.3407000    
 H  -5.8699999E-02  0.6134000      -1.470700    
 H   0.3161000       2.360600       2.136000    
 H   0.8594000       4.955000       1.473000    
 H   -1.615000     -0.9425000      -1.439300    
 H    2.078800      2.1500001E-02  -1.551500    
 H   0.8445000       4.968200      -1.290800    
 H   -3.910000      0.1208000       1.698500    
 H    2.633200      -1.940400       1.925500    
 H   -6.194200      -1.344800       1.413000    
 H    5.035200      -3.202300       1.633500    
 H   -5.778600      -2.816000     -0.8896000    
 H    5.874100      -2.495700     -0.9035000    


%chk=000010309-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010309

0 1
O 1.117416 2.974526 -0.853239
O -4.034003 -1.694177 -1.042049
O 3.918862 -1.881685 -1.132055
N -1.291584 0.376276 0.190640
N 1.085066 -0.017311 0.220625
C 0.004608 0.816601 -0.389789
C 0.209360 2.264132 -0.036723
C -0.272967 3.095469 0.957953
C 0.350385 4.390268 0.768064
C -2.034376 -0.386763 -0.571078
C 1.951152 -0.541599 -0.612800
C 1.184415 4.280423 -0.331060
C -3.308011 -0.906225 -0.110216
C 3.055289 -1.353342 -0.136149
C -4.032220 -0.822854 1.078077
C 3.502135 -1.762940 1.119044
C -5.246083 -1.576439 0.893210
C 4.677062 -2.570994 0.912246
C -5.212471 -2.087899 -0.398131
C 4.898634 -2.620610 -0.458311
H 0.023204 0.724595 -1.511246
H -0.985118 2.801315 1.724132
H 0.197226 5.283646 1.370377
H -1.749781 -0.686802 -1.602140
H 1.910475 -0.398444 -1.713357
H 1.847678 4.962347 -0.855458
H -3.709302 -0.283621 1.965446
H 3.027567 -1.500853 2.061686
H -6.041967 -1.723864 1.620362
H 5.282337 -3.053441 1.677021
H -5.886873 -2.706036 -0.984247
H 5.646784 -3.095800 -1.086733


