%chk=000091122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091122

0 1
 O  -0.1798000       1.360100      -1.983300    
 O   -5.615600     -0.4739000      0.4701000    
 O   -3.415600      -3.078100      0.5946000    
 N    1.979400       1.200500     -8.1400000E-02
 C    2.045400       2.633400      0.2243000    
 C   0.6426000      0.6829000      0.2005000    
 C    2.985900      0.4714000      0.6867000    
 C    3.490400       2.988900      0.5896000    
 C    1.608700       3.417900      -1.017600    
 C    1.112500       2.946200       1.400200    
 C  -0.4209000       1.464400     -0.5808000    
 C    2.986800     -0.9978000      0.3580000    
 C   -1.811900      0.9400000     -0.2997000    
 C   -2.097100     -0.3903000     -0.5541000    
 C   -2.769900       1.802500      0.2045000    
 C    2.177600      -1.860800       1.083700    
 C    3.796800      -1.468700     -0.6659000    
 C   -3.380100     -0.8732000     -0.2963000    
 C   -4.052900       1.319600      0.4624000    
 C   -4.358000     -1.8300001E-02  0.2121000    
 C    2.178400      -3.222000      0.7794000    
 C    3.797500      -2.830000     -0.9703000    
 C   -3.688900      -2.308100     -0.5691000    
 C    2.988400      -3.706600     -0.2476000    
 H   0.5977000     -0.3359000     -0.1956000    
 H   0.3965000      0.6100000       1.267900    
 H    2.849900      0.5836000       1.771800    
 H    4.014300      0.7734000      0.4604000    
 H    4.203900       2.735600     -0.2046000    
 H    3.573400       4.078900      0.7074000    
 H    3.830500       2.596100       1.554800    
 H   0.6177000       3.874000     -0.9817000    
 H    1.734900       2.853500      -1.948000    
 H    2.269800       4.286600      -1.149500    
 H    1.398900       2.376700       2.294900    
 H    1.277200       3.996600       1.683700    
 H   3.1199999E-02   2.881800       1.322000    
 H  -0.5093000       2.520400     -0.3879000    
 H   -1.345900      -1.059400     -0.9640000    
 H   -2.549900       2.846700      0.4061000    
 H  -0.9781000       1.649900      -2.457200    
 H    1.552500      -1.502400       1.896600    
 H    4.428800     -0.7959000      -1.238800    
 H   -4.804900       1.996700      0.8586000    
 H    1.550600      -3.905100       1.344000    
 H    4.427500      -3.207200      -1.770400    
 H   -4.736300      -2.451300     -0.8550000    
 H   -3.075300      -2.689500      -1.393100    
 H    2.989300      -4.766600     -0.4843000    
 H   -6.153800      0.2585000      0.8165000    
 H   -3.618700      -4.004000      0.3780000    


%chk=000091122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091122

0 1
O 0.249178 -0.644569 -1.588175
O -6.001221 0.173158 -0.250588
O -4.410807 -1.946397 1.933689
N 1.819188 1.193749 0.366549
C 2.004958 2.661871 0.697271
C 0.421681 0.693899 0.414061
C 2.764966 0.279730 1.062837
C 3.440897 3.104215 0.299531
C 1.021456 3.514977 -0.146520
C 1.769868 2.961722 2.211774
C -0.292235 0.579052 -0.961123
C 3.112704 -0.988938 0.285231
C -1.806683 0.488068 -0.805377
C -2.407879 -0.698705 -0.313394
C -2.641267 1.587127 -1.116723
C 3.280678 -2.217311 0.969715
C 3.350491 -0.946207 -1.109839
C -3.800270 -0.806030 -0.112903
C -4.039306 1.505630 -0.938452
C -4.612534 0.315473 -0.434930
C 3.693897 -3.380525 0.279014
C 3.766594 -2.102557 -1.802732
C -4.412642 -2.064645 0.451881
C 3.943669 -3.324984 -1.111037
H 0.415365 -0.326801 0.841413
H -0.213563 1.315688 1.079352
H 2.395713 -0.014103 2.075394
H 3.706456 0.831661 1.231984
H 3.675570 2.744133 -0.717861
H 3.507847 4.207404 0.308372
H 4.215687 2.728877 0.991399
H -0.035418 3.284937 0.075758
H 1.200324 3.355864 -1.225405
H 1.181016 4.585272 0.077700
H 2.467347 2.381379 2.842961
H 1.932081 4.034149 2.427370
H 0.737697 2.710024 2.520060
H -0.035891 1.461418 -1.580087
H -1.768321 -1.558205 -0.081174
H -2.201675 2.511411 -1.511959
H -0.214882 -0.786113 -2.452824
H 3.087442 -2.265471 2.049682
H 3.168456 -0.005325 -1.638976
H -4.678167 2.360932 -1.195518
H 3.816706 -4.324941 0.822152
H 3.946404 -2.056084 -2.883465
H -5.446972 -2.182474 0.076246
H -3.807679 -2.944966 0.151445
H 4.264108 -4.224209 -1.650219
H -6.472456 1.011215 -0.482267
H -5.086480 -2.571775 2.301306


