%chk=000059344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059344

0 1
 O   -4.414900       2.159900      0.3430000    
 O   -5.598000     -0.2395000     -0.4039000    
 N    4.192600      0.3507000      0.2051000    
 N   0.7563000      -1.075500     -0.1393000    
 C    2.793000      0.2851000     -0.2147000    
 C    4.959500     -0.7536000     -0.3884000    
 C    4.775200       1.652600     -0.1492000    
 C    2.160600      -1.017900      0.2650000    
 C    6.415300     -0.7284000      7.9700001E-02
 C    6.225100       1.756500      0.3269000    
 C    7.071800      0.6140000     -0.2219000    
 C   0.1561000      -2.359600      0.2432000    
 C   2.7999999E-03  3.8300000E-02  0.4634000    
 C   -1.243000      -2.483300     -0.3688000    
 C   -1.484300     -3.5300002E-02  0.2025000    
 C   -2.087100      -1.254200     -0.1529000    
 C   -2.281400       1.104000      0.3774000    
 C   -3.470800      -1.307600     -0.3643000    
 C   -3.659600       1.038600      0.1742000    
 C   -4.253300     -0.1652000     -0.1985000    
 C   -4.607400       2.989800     -0.8008000    
 C   -6.408600     -0.5694000      0.7223000    
 H    2.697200      0.3841000      -1.304200    
 H    2.297000       1.145700      0.2434000    
 H    4.921300     -0.7164000      -1.484900    
 H    4.586500      -1.731800     -7.5099997E-02
 H    4.204500       2.459600      0.3263000    
 H    4.731800       1.817800      -1.233900    
 H    2.267900      -1.124600       1.352700    
 H    2.643300      -1.878900     -0.2046000    
 H    6.976900      -1.531500     -0.4112000    
 H    6.458800     -0.9214000       1.159400    
 H    6.253800       1.738600       1.423800    
 H    6.650400       2.716100      1.1900000E-02
 H    8.076900      0.6477000      0.2127000    
 H    7.185000      0.7305000      -1.306800    
 H   0.1020000      -2.454400       1.336300    
 H   0.7606000      -3.197700     -0.1249000    
 H   0.3231000      0.9866000      2.0800000E-02
 H   0.1579000      8.2699999E-02   1.549400    
 H   -1.742000      -3.357700      6.5600000E-02
 H   -1.155500      -2.650400      -1.450000    
 H   -1.825200       2.045500      0.6747000    
 H   -3.938600      -2.243700     -0.6603000    
 H   -5.115900       2.437100      -1.597000    
 H   -3.647800       3.372800      -1.162500    
 H   -5.234000       3.836700     -0.5080000    
 H   -7.453300     -0.5829000      0.4001000    
 H   -6.295400      0.1804000       1.511700    
 H   -6.147400      -1.560900       1.105300    


%chk=000059344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059344

0 1
O -4.580165 2.150488 0.284185
O -5.697692 -0.444871 -0.499405
N 4.394434 0.268478 0.123915
N 0.786300 -0.971868 0.076946
C 2.935641 0.328215 -0.139961
C 5.105755 -0.661794 -0.789270
C 5.043416 1.604098 0.133142
C 2.196280 -0.858658 0.519571
C 6.574626 -0.848083 -0.357903
C 6.511081 1.499835 0.597444
C 7.301204 0.515618 -0.295837
C 0.175153 -2.275560 0.436021
C -0.043602 0.157805 0.557412
C -1.145015 -2.459760 -0.333205
C -1.526848 -0.009109 0.247297
C -2.063278 -1.260177 -0.155356
C -2.389008 1.106109 0.376895
C -3.456337 -1.372408 -0.384296
C -3.769717 0.997905 0.124768
C -4.316459 -0.267905 -0.235260
C -5.233723 2.610720 -0.963180
C -6.578317 -0.215822 0.669356
H 2.696361 0.330309 -1.232134
H 2.558213 1.280760 0.276952
H 5.078829 -0.278526 -1.845029
H 4.585746 -1.637097 -0.786138
H 4.476718 2.262026 0.818437
H 5.016371 2.078414 -0.884940
H 2.286838 -0.758300 1.630897
H 2.709763 -1.796528 0.238194
H 7.083872 -1.529100 -1.067183
H 6.594110 -1.325290 0.640840
H 6.524453 1.141033 1.644812
H 6.976377 2.504468 0.578545
H 8.332979 0.389790 0.083732
H 7.382328 0.934328 -1.320656
H -0.012828 -2.356592 1.538358
H 0.884956 -3.077427 0.162400
H 0.318384 1.091817 0.088946
H 0.075339 0.292497 1.668316
H -1.652648 -3.385417 0.000525
H -0.907914 -2.585339 -1.407951
H -1.998369 2.089120 0.665177
H -3.899031 -2.332177 -0.674189
H -5.864687 1.813397 -1.395992
H -4.468882 2.923591 -1.699474
H -5.849044 3.475682 -0.671273
H -7.604923 -0.346911 0.293982
H -6.440245 0.802483 1.075650
H -6.367097 -0.964671 1.456615


