%chk=000091884.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091884

0 1
 O   0.6817000     -0.8171000       1.550700    
 O   -5.603600     -0.4483000      9.3999999E-03
 N  -0.1392000      0.4778000     -0.2342000    
 C    2.209800      0.4373000      0.2182000    
 C    3.261200     -0.1714000       1.166100    
 C    2.462000      0.1700000      -1.281400    
 C    2.181000       1.961900      0.4463000    
 C    3.590800      -1.652800      0.9685000    
 C    2.360100      -1.293100      -1.715700    
 C    4.433600      -1.904700     -0.2768000    
 C    3.639700      -2.106600      -1.561700    
 C   0.8335000     -5.0600000E-02  0.6051000    
 C    1.844400       2.268300       1.899300    
 C    3.517800       2.576100      5.2999999E-02
 C   -1.535100      0.2516000     -0.1841000    
 C   -2.373500      0.8596000      -1.104900    
 C   -2.034400     -0.5866000      0.8005000    
 C   -3.746800      0.6237000      -1.039700    
 C   -1.847000       1.764100      -2.171400    
 C   -3.407500     -0.8226000      0.8657000    
 C   -4.263900     -0.2174000     -5.4299999E-02
 C   -6.064300      -1.319200       1.041400    
 H    2.936000     -8.2199998E-02   2.210500    
 H    4.216700      0.3554000       1.114400    
 H    3.467600      0.5023000      -1.563600    
 H    1.790400      0.7575000      -1.918000    
 H    1.422700       2.454100     -0.1744000    
 H    2.695400      -2.282500      0.9735000    
 H    4.185800      -1.968100       1.836100    
 H    2.085300      -1.318600      -2.778400    
 H    1.539200      -1.799500      -1.196000    
 H    5.041400      -2.804600     -0.1168000    
 H    5.151600      -1.086900     -0.4158000    
 H    4.304200      -1.897100      -2.409800    
 H    3.374700      -3.168000      -1.651800    
 H   0.9056000       1.823700       2.240300    
 H    2.641300       1.988100       2.594800    
 H    1.720700       3.352600       2.015900    
 H    3.773000       2.434700     -0.9993000    
 H    4.362700       2.267500      0.6717000    
 H    3.452800       3.664600      0.1851000    
 H   0.1500000       1.111200     -0.9693000    
 H   -1.442600      -1.091900       1.548700    
 H   -4.423700       1.089700      -1.751600    
 H   -1.343700       2.630100      -1.728600    
 H   -1.149100       1.227200      -2.822600    
 H   -2.650000       2.149900      -2.809400    
 H   -3.743300      -1.486200       1.655500    
 H   -5.859200     -0.9087000       2.035900    
 H   -5.666500      -2.332600      0.9203000    
 H   -7.152600      -1.389500      0.9431000    


%chk=000091884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091884

0 1
O 0.687805 -0.737682 1.696455
O -5.730975 -0.483665 -0.088153
N -0.134592 0.383833 -0.182112
C 2.312013 0.509851 0.276144
C 3.361553 -0.214824 1.167171
C 2.584454 0.285586 -1.252057
C 2.302811 2.075957 0.578423
C 3.645470 -1.712173 0.874777
C 2.324942 -1.153304 -1.774887
C 4.426700 -1.975924 -0.438461
C 3.553413 -2.099732 -1.717351
C 0.893799 -0.025128 0.665781
C 1.984163 2.401813 2.058679
C 3.600000 2.804479 0.145569
C -1.535411 0.123373 -0.098835
C -2.369186 0.638836 -1.145863
C -2.115840 -0.609233 0.965597
C -3.755580 0.404584 -1.086556
C -1.780587 1.425969 -2.306181
C -3.509236 -0.834821 1.008302
C -4.334527 -0.326269 -0.020331
C -6.370436 -1.229880 0.996461
H 3.020904 -0.136765 2.214633
H 4.322062 0.332680 1.089514
H 3.634392 0.564800 -1.461070
H 1.977938 1.009817 -1.840207
H 1.478609 2.503036 -0.035735
H 2.700834 -2.287314 0.896624
H 4.249771 -2.092346 1.722500
H 1.979203 -1.103629 -2.826841
H 1.488098 -1.602878 -1.207617
H 5.019844 -2.906644 -0.337475
H 5.169498 -1.161559 -0.569260
H 4.197845 -1.922176 -2.602126
H 3.184625 -3.140963 -1.808034
H 1.068792 1.892272 2.407239
H 2.812716 2.096253 2.722975
H 1.840210 3.491140 2.184123
H 3.805619 2.697571 -0.933699
H 4.481311 2.437716 0.702434
H 3.503928 3.885586 0.359640
H 0.159948 0.927554 -0.994751
H -1.467513 -0.999814 1.751369
H -4.416205 0.786549 -1.871651
H -1.268654 2.349577 -1.967175
H -1.049078 0.827535 -2.886600
H -2.572017 1.735955 -3.007692
H -3.925448 -1.404209 1.844640
H -6.211965 -0.735170 1.974882
H -5.996220 -2.271374 1.045070
H -7.443099 -1.232646 0.752115


