%chk=000065988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065988

0 1
 O   -3.151600      8.2199998E-02  0.9277000    
 O   -1.644300      -1.779100     -0.5877000    
 O   -1.348400      -1.944700       1.702300    
 O    3.461600       1.215800       1.740900    
 O    3.479000       1.907600     -0.4682000    
 O   -1.286500       3.126200      0.9746000    
 O  -7.8299999E-02   1.449600       1.715000    
 N    2.645300      -2.527700     -0.2320000    
 N  -0.5781000       2.111200      0.7748000    
 C   -3.672700     -0.5382000     -0.2597000    
 C   -5.182600     -0.5625000     -9.6600004E-02
 C    1.055200     -0.2360000      0.2647000    
 C   -5.422400      0.7132000      0.6713000    
 C   -4.230100      0.7457000       1.603800    
 C   -3.060700      -1.914700     -0.4323000    
 C   0.4930000      -1.662000      0.2370000    
 C    2.582900     -0.1948000      0.1597000    
 C   0.4438000      0.5765000     -0.8407000    
 C    1.290000      -2.724500     -1.8400000E-02
 C    3.297200      -1.311700     -0.1062000    
 C  -0.9339000      -1.813900      0.5654000    
 C  -0.3337000       1.696500     -0.5635000    
 C   0.8345000      -4.156100     -0.1059000    
 C   0.6718000      0.1829000      -2.155800    
 C    3.225900       1.105200      0.4113000    
 C    4.790800      -1.371100     -0.2801000    
 C  -0.8889000       2.430400      -1.611900    
 C   0.1165000      0.9169000      -3.204000    
 C  -0.6638000       2.040400      -2.932100    
 C    4.088300       2.436900       2.146700    
 H   -3.384400      0.1089000      -1.097300    
 H   -5.712500     -0.6007000      -1.052400    
 H   -5.500200      -1.420600      0.5079000    
 H   0.9480000     -3.3700000E-02   1.317600    
 H   -5.386300       1.570300     -1.1700000E-02
 H   -6.378800      0.7366000       1.199900    
 H   -4.433500      0.1924000       2.526600    
 H   -3.930200       1.763900       1.866500    
 H   -3.297500      -2.577800      0.4087000    
 H   -3.444600      -2.390600      -1.340700    
 H    3.211900      -3.345100     -0.4293000    
 H  -0.2410000      -4.272400      5.4900002E-02
 H    1.348400      -4.762600      0.6475000    
 H    1.065000      -4.565900      -1.095100    
 H    1.274100     -0.6876000      -2.399300    
 H    5.233500      -2.027200      0.4769000    
 H    5.270000     -0.3922000     -0.1899000    
 H    5.040100      -1.768400      -1.269900    
 H   -1.503500       3.310600      -1.441600    
 H   0.2912000      0.6132000      -4.232000    
 H   -1.096400       2.611000      -3.748700    
 H    5.068600       2.536100       1.670700    
 H    3.449700       3.290300       1.899000    
 H    4.225900       2.404500       3.230700    


%chk=000065988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065988

0 1
O -2.956836 -0.711237 2.654154
O -1.691457 -0.573343 -0.068823
O -1.650311 -2.908369 -0.156861
O 2.218588 2.162106 0.375851
O 4.357424 1.308313 0.726943
O -2.417562 2.235136 -1.348252
O -0.773231 2.243391 0.216784
N 2.641288 -2.531618 -0.276003
N -1.202594 1.983987 -0.967155
C -3.424658 0.129843 1.515971
C -4.949729 0.370152 1.734234
C 0.995439 -0.168578 -0.269617
C -5.201062 -0.104972 3.190720
C -4.158242 -1.229653 3.342826
C -3.151324 -0.574181 0.182641
C 0.427770 -1.605492 -0.244625
C 2.499977 -0.161685 0.062571
C 0.739697 0.465260 -1.662206
C 1.253546 -2.714581 -0.314839
C 3.267900 -1.311536 0.003886
C -1.030244 -1.808418 -0.154424
C -0.284586 1.400528 -1.980347
C 0.815212 -4.161170 -0.386800
C 1.530639 0.017039 -2.752428
C 3.145586 1.114140 0.418976
C 4.758633 -1.412274 0.244820
C -0.513085 1.854647 -3.302106
C 1.335995 0.474726 -4.070920
C 0.304592 1.400643 -4.351668
C 2.726052 3.494196 0.758891
H -2.836155 1.062952 1.563603
H -5.223397 1.425553 1.574021
H -5.541281 -0.245301 1.028641
H 0.465662 0.441126 0.477349
H -4.982135 0.709057 3.904438
H -6.236619 -0.451062 3.354143
H -4.509968 -2.167930 2.861537
H -3.864216 -1.442641 4.383430
H -3.516577 -1.616443 0.189999
H -3.601755 -0.004899 -0.650565
H 3.228095 -3.365430 -0.319209
H 0.110509 -4.323570 -1.217651
H 0.265883 -4.451911 0.524493
H 1.687238 -4.830791 -0.510857
H 2.323917 -0.709535 -2.548041
H 5.006038 -1.160425 1.290097
H 5.314396 -0.686786 -0.369866
H 5.124166 -2.433590 0.027309
H -1.331017 2.557268 -3.482522
H 1.981147 0.107930 -4.876751
H 0.138849 1.762390 -5.371375
H 3.162289 3.463565 1.771863
H 3.497772 3.831812 0.045764
H 1.841042 4.144859 0.727058


