%chk=000118513.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118513

0 1
 O   -4.145400      -1.087100     -0.5685000    
 O    4.318200     -0.3381000     -0.9098000    
 N   -1.844600      0.3962000      0.2112000    
 C   -1.764400      -1.036400     -0.1062000    
 C   -3.181200      0.7234000      0.7272000    
 C  -0.8105000      0.7733000       1.172600    
 C   -2.859900      -1.408000      -1.101400    
 C   -4.243700      0.3094000     -0.2869000    
 C   0.5566000      0.4905000      0.6144000    
 C    1.235100       1.456600     -0.1188000    
 C    1.127200     -0.7560000      0.8454000    
 C    2.394300      -1.039800      0.3361000    
 C    2.502100       1.172700     -0.6284000    
 C    3.082000     -7.5400002E-02 -0.4007000    
 C   0.6355000       2.800400     -0.3740000    
 C    2.998600      -2.381600      0.5878000    
 H  -0.9365000      0.2299000       2.120400    
 H  -0.9025000       1.831200       1.444700    
 H   -1.875400      -1.643900      0.8012000    
 H  -0.8306000      -1.303500     -0.6063000    
 H   -3.265200       1.800700      0.9098000    
 H   -3.360700      0.2018000       1.676400    
 H   -2.724900     -0.8973000      -2.062900    
 H   -2.840200      -2.485600      -1.293800    
 H   -5.241900      0.4969000      0.1216000    
 H   -4.155300      0.8783000      -1.220500    
 H   0.6010000      -1.502900       1.434800    
 H    3.046600       1.917500      -1.204000    
 H   0.5637000       3.373100      0.5562000    
 H    1.247000       3.387500      -1.068500    
 H  -0.3556000       2.711100     -0.8300000    
 H    3.934300      -2.284400       1.148400    
 H    2.333900      -3.020400       1.179900    
 H    3.187600      -2.902900     -0.3566000    
 H    4.606200      -1.235500     -0.6811000    


%chk=000118513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118513

0 1
O -4.391652 -0.698625 -0.795802
O 4.445552 -0.223532 -0.990965
N -1.899082 0.334424 0.286284
C -1.983840 -1.037125 -0.277464
C -3.212054 0.741483 0.849241
C -0.798092 0.483724 1.281589
C -3.084019 -1.096343 -1.347969
C -4.296339 0.660168 -0.237927
C 0.586984 0.304043 0.677800
C 1.136072 1.270797 -0.220914
C 1.356167 -0.834553 1.014381
C 2.650574 -1.070277 0.493665
C 2.424768 1.047845 -0.753407
C 3.169320 -0.099114 -0.403954
C 0.365333 2.524264 -0.594512
C 3.459278 -2.301134 0.865960
H -0.925342 -0.236676 2.129688
H -0.896274 1.501674 1.708790
H -2.209646 -1.789109 0.522362
H -1.010722 -1.301097 -0.729247
H -3.138326 1.782535 1.219371
H -3.510215 0.090420 1.710796
H -2.816321 -0.425861 -2.193140
H -3.223271 -2.124909 -1.719932
H -5.294166 0.879956 0.176902
H -4.061406 1.382715 -1.049777
H 0.929715 -1.570315 1.709008
H 2.874629 1.766529 -1.446139
H 0.280902 3.213351 0.269654
H 0.863976 3.073969 -1.410682
H -0.662615 2.265088 -0.904040
H 4.417152 -2.041473 1.361728
H 2.897975 -2.936773 1.570678
H 3.695737 -2.931442 -0.015822
H 4.890649 -1.052928 -0.686505


