%chk=000147975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147975

0 1
 O    7.095100       1.323500       1.070300    
 O    5.797400      -3.816600      0.4149000    
 O   -5.599000     -0.8080000     -0.8008000    
 O   -7.950600      -1.640200      0.4725000    
 N    5.132900     -0.2548000     -0.1923000    
 N  -0.2663000       1.220700     -6.3400000E-02
 N  -0.9858000      0.2032000      7.2499998E-02
 N   -6.388500       1.696800      0.2090000    
 C    6.087800      0.5221000     -0.9575000    
 C    5.591000      -1.426300      0.5277000    
 C    3.772600      0.1168000     -0.1600000    
 C    6.521900       1.741400     -0.1621000    
 C    5.311700      -2.678500     -0.2859000    
 C    3.341400       1.245900     -0.8561000    
 C    2.858700     -0.6449000      0.5682000    
 C    1.996300       1.613600     -0.8240000    
 C    1.513600     -0.2772000      0.6004000    
 C    1.082300      0.8520000     -9.5700003E-02
 C   -4.661100      6.4099997E-02 -0.3345000    
 C   -2.341000      0.5741000      0.1052000    
 C   -5.030800       1.310700      0.1705000    
 C   -3.316300     -0.3042000     -0.3671000    
 C   -2.710600       1.820800      0.6101000    
 C   -4.055500       2.189100      0.6428000    
 C   -5.681800      -2.076400     -0.1545000    
 C   -7.115500      -2.567500     -0.2101000    
 H    5.717500      0.7908000      -1.952900    
 H    6.976400     -9.4499998E-02  -1.148800    
 H    6.675000      -1.368800      0.6971000    
 H    5.185700      -1.494600       1.544500    
 H    7.279700       2.299900     -0.7209000    
 H    5.693600       2.418400      6.3199997E-02
 H    4.245400      -2.827700     -0.4763000    
 H    5.822100      -2.630600      -1.254300    
 H    3.998400       1.878100      -1.442900    
 H    3.130500      -1.528100       1.135600    
 H    1.668000       2.494300      -1.369700    
 H   0.8388000     -0.8855000       1.197800    
 H    7.376300       2.126500       1.541100    
 H    5.614100      -4.593400     -0.1405000    
 H   -3.020400      -1.271000     -0.7673000    
 H   -1.985100       2.526300       1.007300    
 H   -4.331100       3.161500       1.042800    
 H   -5.371500      -1.989500      0.8948000    
 H   -5.022000      -2.783900     -0.6678000    
 H   -7.462000      -2.629200      -1.246500    
 H   -7.209900      -3.547700      0.2662000    
 H   -7.100900       1.062000     -0.1266000    
 H   -6.649100       2.601100      0.5790000    
 H   -8.859500      -1.981400      0.4176000    


%chk=000147975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147975

0 1
O 7.479968 0.781230 1.744880
O 6.494809 -3.687791 -0.749349
O -5.659230 -1.491837 -0.101038
O -8.525450 -0.933970 0.261821
N 5.374848 -0.163167 -0.208116
N -0.201235 1.022714 -0.346410
N -1.053637 0.023442 -0.222426
N -6.608243 1.152536 -0.411775
C 6.362468 0.912154 -0.384095
C 5.896007 -1.514255 0.073311
C 3.998784 0.106077 -0.234867
C 6.680432 1.689636 0.905202
C 5.979918 -2.384027 -1.195921
C 3.496120 1.439040 -0.399147
C 3.031207 -0.948807 -0.100066
C 2.115880 1.690306 -0.433983
C 1.657209 -0.687070 -0.128685
C 1.166715 0.642074 -0.299087
C -4.736488 -0.407092 -0.165481
C -2.422219 0.400193 -0.268862
C -5.244652 0.922243 -0.350202
C -3.361539 -0.660549 -0.131779
C -2.912822 1.731326 -0.435693
C -4.289626 1.981398 -0.474363
C -6.395542 -1.636268 1.175814
C -7.808303 -2.091594 0.839687
H 6.026238 1.618036 -1.166078
H 7.308940 0.467014 -0.741199
H 6.899548 -1.416931 0.517644
H 5.269045 -2.027253 0.823786
H 7.263761 2.602002 0.652851
H 5.740922 1.987872 1.412296
H 4.977477 -2.484298 -1.661209
H 6.665063 -1.911812 -1.932620
H 4.180730 2.286418 -0.495044
H 3.363360 -1.983776 0.023509
H 1.738410 2.711040 -0.560581
H 0.929875 -1.498785 -0.026738
H 7.526018 1.126155 2.670444
H 6.550121 -4.305427 -1.520339
H -2.995359 -1.684838 -0.010720
H -2.185503 2.542528 -0.537398
H -4.657482 3.006081 -0.614935
H -6.418504 -0.678647 1.731195
H -5.890887 -2.399860 1.800744
H -7.753142 -2.924425 0.111244
H -8.325635 -2.434756 1.758480
H -7.291747 0.387125 -0.310794
H -6.950083 2.104834 -0.511710
H -9.276648 -1.243035 -0.299601


