%chk=000040734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040734

0 1
 O  -9.3300000E-02 -6.3000001E-02 -0.8334000    
 O    1.638000      -2.896400      -1.299900    
 O   0.7008000      -2.945900      0.7704000    
 N   -3.608900     -0.2604000      0.2564000    
 C   0.9027000       2.584500     -0.5888000    
 C    1.692600       1.382900     -0.1860000    
 C   -2.473200     -0.2347000     -0.6646000    
 C    1.167100      0.1007000     -0.3210000    
 C   -1.168200     -6.5300003E-02  9.7000003E-02
 C   -3.668200      0.9795000       1.029500    
 C   -4.857200     -0.4654000     -0.4773000    
 C    1.914500      -1.010400      5.9799999E-02
 C    2.975700       1.555200      0.3332000    
 C    3.197500     -0.8379000      0.5791000    
 C    1.574500       3.373800      -1.727300    
 C   0.6130000       3.521300      0.5984000    
 C    3.728000      0.4448000      0.7159000    
 C   -4.806400      0.9455000       2.035300    
 C   -4.813500      -1.750300      -1.287000    
 C    4.027800      -2.007800      0.9973000    
 C    1.356600      -2.350600     -8.6999997E-02
 H  -7.4699998E-02   2.286900     -0.9846000    
 H   -2.572100      0.5611000      -1.415200    
 H   -2.375500      -1.173700      -1.220300    
 H   -1.039700     -0.8815000      0.8175000    
 H   -1.122000      0.8823000      0.6373000    
 H   -3.763100       1.863600      0.3867000    
 H   -2.774700       1.109700       1.645200    
 H   -5.696800     -0.5813000      0.2158000    
 H   -5.087800      0.3787000      -1.139500    
 H    3.410400       2.544000      0.4496000    
 H    1.766300       2.725500      -2.589600    
 H   0.9276000       4.192900      -2.060400    
 H    2.529500       3.810900      -1.416800    
 H    1.528000       3.968400       1.001500    
 H  -4.7100000E-02   4.339100      0.2890000    
 H   0.1176000       2.980100       1.411900    
 H    4.726000      0.5973000       1.118500    
 H   -4.691000       1.769600       2.748700    
 H   -4.811700      1.4200000E-02   2.612200    
 H   -5.785200       1.078200       1.564300    
 H   -5.825400      -2.005000      -1.622500    
 H   -4.446900      -2.594700     -0.6931000    
 H   -4.203700      -1.656200      -2.190800    
 H    3.520100      -2.578700       1.781700    
 H    4.226300      -2.662700      0.1426000    
 H    4.997700      -1.696000       1.400400    
 H    1.259900      -3.797000      -1.391600    


%chk=000040734-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040734

0 1
O -0.148281 0.435618 -1.010673
O 1.702647 -2.985864 -1.682752
O -0.243983 -2.426261 -0.573179
N -3.761802 0.037701 -0.074009
C 1.165821 2.864293 -0.079172
C 1.799988 1.477532 0.040937
C -2.548468 0.037535 -0.928355
C 1.119146 0.311457 -0.400860
C -1.319082 0.386612 -0.081605
C -4.586646 1.264560 -0.205085
C -4.527550 -1.233112 -0.116772
C 1.734401 -0.977943 -0.346270
C 3.097458 1.307504 0.579243
C 3.050764 -1.126263 0.187521
C 2.041799 3.814084 -0.938454
C 0.886954 3.482385 1.317544
C 3.703189 0.037888 0.660345
C -5.417571 1.577308 1.054943
C -3.787633 -2.393551 0.577645
C 3.758134 -2.467095 0.292569
C 0.951426 -2.151399 -0.836789
H 0.200943 2.739723 -0.603688
H -2.633785 0.756696 -1.771767
H -2.382189 -0.959533 -1.372698
H -1.154278 -0.393550 0.681024
H -1.437427 1.373712 0.410376
H -5.263055 1.214622 -1.097128
H -3.895270 2.109575 -0.385669
H -5.491054 -1.066539 0.398897
H -4.775648 -1.523557 -1.169752
H 3.646473 2.185719 0.939368
H 2.217915 3.391520 -1.943697
H 1.542646 4.793775 -1.057229
H 3.026290 3.994293 -0.467237
H 1.826905 3.640147 1.879484
H 0.388014 4.463904 1.213362
H 0.237648 2.826970 1.926245
H 4.705683 -0.057902 1.092409
H -5.969151 2.527676 0.926800
H -4.753929 1.665412 1.932973
H -6.160464 0.787562 1.267908
H -4.385181 -3.322817 0.514674
H -3.620405 -2.152813 1.642541
H -2.803181 -2.589447 0.116324
H 3.111970 -3.244103 0.738950
H 4.055328 -2.837495 -0.703690
H 4.662434 -2.374085 0.917565
H 1.123959 -3.746652 -1.964618


