%chk=000045787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045787

1 1
 O   -1.028900      0.7646000       1.677200    
 O   0.1965000      -2.529100     -0.4538000    
 O    3.517200       1.818700      0.2276000    
 N   -3.266500      0.4119000     -0.1783000    
 C   -1.805700      0.4369000     -0.6045000    
 C  -0.9508000     -0.1142000      0.5519000    
 C   -4.140100      0.8797000      -1.333400    
 C   -3.656900      -1.006600      0.2111000    
 C   -3.463200       1.337600       1.013600    
 C   -1.474300       1.877400     -0.9812000    
 C   0.5158000     -0.2462000      0.2021000    
 C    1.006500      -1.447100     -0.2813000    
 C    1.339700      0.8531000      0.3781000    
 C    2.693900      0.7479000      6.1200000E-02
 C    2.360800      -1.552200     -0.5985000    
 C    3.204600     -0.4547000     -0.4270000    
 C   6.0899999E-02  -3.419700      0.6518000    
 C    4.890600       1.641900     -0.1167000    
 H   -1.714300     -0.2092000      -1.487400    
 H   -1.297800      -1.084200      0.9030000    
 H   -3.814300      0.3833000      -2.252100    
 H   -5.176700      0.6014000      -1.115000    
 H   -4.101400       1.968100      -1.421200    
 H   -3.259200      -1.262800       1.195900    
 H   -4.749200      -1.053100      0.2758000    
 H   -3.305200      -1.696300     -0.5618000    
 H   -4.546400       1.495700       1.099800    
 H   -3.176100      0.8491000       1.946700    
 H   -3.017400       2.320300      0.8736000    
 H   -1.343300       2.559800     -0.1377000    
 H   -2.149500       2.335300      -1.705600    
 H  -0.5050000       1.881800      -1.496800    
 H  -0.5472000      0.3506000       2.414200    
 H   0.9658000       1.802900      0.7496000    
 H    2.764500      -2.486400     -0.9798000    
 H    4.245200     -0.6056000     -0.6930000    
 H  -0.8421000      -4.017800      0.5017000    
 H  -2.6200000E-02  -2.883800       1.602500    
 H   0.9242000      -4.091300      0.6880000    
 H    5.013400       1.426800      -1.183600    
 H    5.370300      0.8882000      0.5168000    
 H    5.397500       2.592600      7.8100003E-02


%chk=000045787-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045787

1 1
O -1.145620 1.206154 1.825155
O -0.139249 -2.274918 -0.262264
O 3.673388 1.797655 0.497235
N -3.391263 0.443467 0.027818
C -1.849074 0.392177 -0.357374
C -0.946368 0.104877 0.875246
C -4.212659 0.158212 -1.229015
C -3.732116 -0.630253 1.059605
C -3.799406 1.806226 0.595829
C -1.422830 1.650107 -1.130409
C 0.506435 -0.078581 0.447806
C 0.904215 -1.333193 -0.100393
C 1.464210 0.936097 0.619148
C 2.822373 0.714470 0.272663
C 2.252597 -1.557645 -0.444263
C 3.214787 -0.538140 -0.256790
C 0.237941 -3.629038 -0.697243
C 5.097470 1.631331 0.173550
H -1.773636 -0.504985 -1.000236
H -1.263817 -0.851816 1.334062
H -4.011068 -0.870461 -1.565055
H -5.281387 0.270056 -0.988713
H -3.938800 0.869127 -2.020357
H -3.296857 -0.347583 2.027975
H -4.828255 -0.688349 1.149388
H -3.333522 -1.599687 0.723588
H -4.841646 1.732119 0.945460
H -3.118055 2.049484 1.422362
H -3.727850 2.565534 -0.194990
H -1.330813 2.525098 -0.468063
H -2.096234 1.893384 -1.969446
H -0.428327 1.461074 -1.565634
H -0.451771 1.164295 2.531100
H 1.183926 1.916434 1.017802
H 2.575507 -2.517717 -0.856318
H 4.255683 -0.735870 -0.526585
H -0.697255 -4.207481 -0.698339
H 0.957738 -4.083962 0.007995
H 0.667855 -3.613150 -1.716092
H 5.240399 1.425903 -0.904420
H 5.551066 0.822146 0.776833
H 5.561991 2.592705 0.432978


