%chk=000045248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045248

0 1
 O   0.6461000      -1.724000      0.4866000    
 O   0.3450000      0.3430000       1.454300    
 O    2.780700       1.432500       1.966700    
 N   -2.401200     -0.2883000     -0.3507000    
 C   -2.565400      0.9277000      -1.180400    
 C   -3.224600       2.052600     -0.3568000    
 C   -3.695700     -0.7466000      0.1839000    
 C   -4.552500       1.613200      0.2460000    
 C   -4.369700      0.3265000       1.035600    
 C   -1.768100      -1.387900      -1.084900    
 C   -1.231500       1.455300      -1.727900    
 C   -1.504000      -2.564900     -0.1515000    
 C  -0.5996000      -2.167000       1.007200    
 C   0.9989000     -0.4431000      0.7865000    
 C    2.313600     -0.1041000      0.1856000    
 C    3.136600      0.8148000      0.8052000    
 C    2.671200     -0.7314000     -0.9920000    
 C    4.367600       1.119400      0.2242000    
 C    3.902200     -0.4266000      -1.572900    
 C    4.750400      0.4987000     -0.9649000    
 H   -3.215500      0.7013000      -2.037100    
 H   -3.395100       2.931500     -0.9906000    
 H   -2.549600       2.369400      0.4496000    
 H   -3.588700      -1.601900      0.8553000    
 H   -4.369000      -1.048400     -0.6294000    
 H   -5.285400       1.454500     -0.5545000    
 H   -4.949700       2.400600      0.8959000    
 H   -3.762900      0.5253000       1.928300    
 H   -5.344100     -3.3599999E-02   1.384800    
 H   -2.398300      -1.717500      -1.921100    
 H  -0.8104000      -1.085100      -1.517600    
 H  -0.8028000      0.7895000      -2.482700    
 H   -1.375100       2.425200      -2.218000    
 H  -0.4965000       1.597100     -0.9293000    
 H   -2.411600      -3.059300      0.2047000    
 H  -0.9797000      -3.326300     -0.7454000    
 H  -0.3922000      -3.056900       1.612000    
 H   -1.085700      -1.448400       1.675700    
 H    2.024600      -1.443600      -1.495900    
 H    5.038400       1.838500      0.6866000    
 H    4.198900     -0.9068000      -2.500800    
 H    5.708400      0.7367000      -1.417900    
 H    3.492600       2.038200       2.235700    


%chk=000045248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045248

0 1
O 0.717856 -1.306788 0.341829
O 1.436086 -0.316087 2.323550
O 3.590384 1.392944 1.963481
N -2.816442 -0.306735 -0.388817
C -2.826203 1.020422 -1.086752
C -3.662950 2.029854 -0.256793
C -4.194606 -0.819920 -0.164701
C -5.093126 1.528918 0.032702
C -5.034428 0.138631 0.698308
C -1.961684 -1.348573 -1.017631
C -1.403299 1.586467 -1.285611
C -1.436431 -2.376381 0.014229
C -0.520194 -1.739349 1.057474
C 1.644691 -0.582654 1.117508
C 2.848378 -0.230759 0.306540
C 3.807434 0.727713 0.755537
C 3.078358 -0.872395 -0.942307
C 4.954095 1.011394 -0.031244
C 4.216992 -0.593730 -1.721622
C 5.160341 0.354333 -1.259107
H -3.317637 0.918906 -2.093344
H -3.696087 2.992077 -0.804152
H -3.130725 2.209154 0.698980
H -4.125109 -1.804936 0.331962
H -4.720223 -0.985102 -1.143958
H -5.660714 1.456346 -0.918666
H -5.631871 2.251208 0.675296
H -4.568605 0.222474 1.699270
H -6.051338 -0.278797 0.832265
H -2.506948 -1.890561 -1.830781
H -1.084892 -0.869866 -1.480151
H -0.823866 1.058270 -2.062311
H -1.469588 2.646308 -1.592422
H -0.840046 1.533724 -0.336067
H -2.279393 -2.855527 0.549268
H -0.894149 -3.182527 -0.517438
H -0.228904 -2.445332 1.856487
H -0.995084 -0.852188 1.511630
H 2.338038 -1.601598 -1.280703
H 5.683046 1.751628 0.324976
H 4.370810 -1.108188 -2.675215
H 6.052878 0.582680 -1.851817
H 4.325754 2.034343 2.138419


