%chk=000048248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048248

0 1
 O    6.543900       1.490200      0.3226000    
 O  -0.3766000      -1.742000      0.2257000    
 O   -2.308700      -2.332400     -0.8779000    
 N    4.688300     -0.6169000     -0.1445000    
 C    3.948900      -1.807800      0.2689000    
 C    4.350000      0.5300000      0.7097000    
 C    6.136700     -0.8628000     -0.1068000    
 C    2.499200      -1.723800     -0.2057000    
 C    5.142100       1.756800      0.2666000    
 C    6.887200      0.3970000     -0.5296000    
 C    1.705200      -2.956200      0.2242000    
 C   0.2689000      -2.903200     -0.2797000    
 C   -2.260900     -0.3207000      0.5102000    
 C   -1.684700      -1.568100     -0.1524000    
 C   -1.495500      0.9563000      0.1895000    
 C   -3.758100     -0.1615000      0.2782000    
 C   -1.454900       1.996800       1.117700    
 C   -4.220600      0.5466000     -0.8311000    
 C  -0.8346000       1.085400      -1.032200    
 C   -4.666700     -0.7242000       1.174700    
 C  -0.7538000       3.166400      0.8242000    
 C   -5.591400      0.6923000      -1.043800    
 C  -0.1334000       2.255000      -1.325500    
 C   -6.037600     -0.5785000      0.9618000    
 C  -9.3000002E-02   3.295500     -0.3973000    
 C   -6.499900      0.1297000     -0.1474000    
 H    4.392300      -2.699100     -0.1946000    
 H    4.000400      -1.959800       1.354800    
 H    3.287200      0.7821000      0.6487000    
 H    4.586000      0.3072000       1.758500    
 H    6.404500      -1.677400     -0.7894000    
 H    6.446100      -1.150900      0.9063000    
 H    2.473300      -1.634500      -1.299200    
 H    2.007400     -0.8338000      0.1994000    
 H    4.868800       2.070500     -0.7483000    
 H    4.936600       2.596000      0.9389000    
 H    7.966300      0.2344000     -0.4436000    
 H    6.674200      0.6644000      -1.571900    
 H    1.700300      -3.008600       1.319800    
 H    2.186700      -3.866700     -0.1503000    
 H  -0.2671000      -3.796100      6.2199999E-02
 H   0.2582000      -2.881500      -1.375900    
 H   -2.124600     -0.5019000       1.588100    
 H   -1.966000       1.909100       2.072700    
 H   -3.546700      0.9803000      -1.562500    
 H  -0.8597000      0.2985000      -1.780600    
 H   -4.320600      -1.280500       2.041600    
 H  -0.7225000       3.976600       1.546700    
 H   -5.951900       1.239200      -1.910000    
 H   0.3790000       2.357000      -2.277700    
 H   -6.745200      -1.017400       1.659200    
 H   0.4526000       4.206200     -0.6260000    
 H   -7.567300      0.2417000     -0.3139000    


%chk=000048248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048248

0 1
O 5.856491 1.840930 -0.351715
O -0.719791 -2.392995 0.704939
O -1.135598 -1.526074 -1.424952
N 4.274285 -0.607669 -0.325043
C 3.664470 -1.828073 0.259280
C 3.767713 0.649321 0.288623
C 5.758986 -0.638268 -0.247702
C 2.181090 -2.004718 -0.121898
C 4.385176 1.866684 -0.417023
C 6.349603 0.591940 -0.955491
C 1.578377 -3.288463 0.490295
C 0.103046 -3.503480 0.124978
C -1.930736 -0.324173 0.604804
C -1.242957 -1.448005 -0.179818
C -1.111184 0.979672 0.524596
C -3.388957 -0.146655 0.148005
C -1.072470 1.822115 1.665030
C -3.711894 0.347010 -1.140748
C -0.423925 1.384623 -0.648389
C -4.438203 -0.489143 1.036430
C -0.369192 3.046390 1.636179
C -5.061057 0.495993 -1.528836
C 0.283575 2.608323 -0.675892
C -5.789485 -0.337314 0.649855
C 0.312681 3.445170 0.462914
C -6.104819 0.156845 -0.635821
H 4.235618 -2.697957 -0.122627
H 3.764869 -1.842077 1.377693
H 2.669668 0.703151 0.186142
H 4.015510 0.691854 1.380519
H 6.125743 -1.557669 -0.743306
H 6.115661 -0.651918 0.814327
H 2.095313 -2.026264 -1.224825
H 1.594735 -1.135316 0.228856
H 4.058984 1.880871 -1.479858
H 4.083637 2.804901 0.077529
H 7.446838 0.625111 -0.849909
H 6.076815 0.564396 -2.032799
H 1.678688 -3.264299 1.593389
H 2.139528 -4.178836 0.137033
H -0.302820 -4.420259 0.583967
H -0.054465 -3.519390 -0.968121
H -1.943527 -0.648370 1.659238
H -1.601181 1.520242 2.577527
H -2.911497 0.607403 -1.840051
H -0.432157 0.739003 -1.533256
H -4.197776 -0.877882 2.033984
H -0.351445 3.685645 2.526057
H -5.299262 0.877048 -2.528323
H 0.808760 2.908586 -1.589939
H -6.590406 -0.604207 1.348538
H 0.858226 4.395162 0.438072
H -7.150978 0.275985 -0.939356


