%chk=000018574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018574

0 1
 O  -0.7913000      -1.205400      0.2016000    
 O  -0.4822000      0.7385000       1.395300    
 N   -4.276900     -1.8100001E-02 -0.2120000    
 C   -2.835900     -9.7900003E-02 -0.4091000    
 C   -2.200200      -1.208600      0.4305000    
 C   -4.596000      0.1553000       1.206700    
 C   -4.846000       1.079700     -0.9968000    
 C    1.108700      0.1036000     -0.3487000    
 C   -2.721000      -2.596500      7.9200000E-02
 C  -0.1392000     -4.2300001E-02  0.5165000    
 C    2.014000      -1.120600     -0.2983000    
 C    1.880400       1.393500     -0.1040000    
 C   -6.098100      0.1721000       1.433400    
 C   -4.527700      0.9213000      -2.473800    
 C    2.778800      -1.428700      -1.404100    
 C    1.562600       2.511000     -0.8479000    
 C    2.040600      -1.882000      0.8514000    
 C    2.872800       1.404700      0.8541000    
 C    3.607900      -2.549500      -1.357900    
 C    2.269200       3.692500     -0.6238000    
 C    2.869800      -3.002700      0.8974000    
 C    3.579100       2.586300       1.078300    
 C    3.653400      -3.336400     -0.2073000    
 C    3.277400       3.730300      0.3393000    
 H   -2.377800      0.8756000     -0.1989000    
 H   -2.587300     -0.3246000      -1.453000    
 H   -2.324400      -1.055500       1.506800    
 H   0.7114000      0.1546000      -1.375300    
 H   -4.245900     -0.6918000       1.802000    
 H   -4.144100       1.064600       1.622400    
 H   -5.938700       1.075800     -0.9284000    
 H   -4.495100       2.059000     -0.6476000    
 H   -2.177500      -3.360000      0.6470000    
 H   -2.552400      -2.819900     -0.9801000    
 H   -3.787800      -2.704400      0.2945000    
 H   -6.558800       1.112800       1.116700    
 H   -6.595800     -0.6589000      0.9219000    
 H   -6.309200      6.8499997E-02   2.504100    
 H   -3.487000       1.167600      -2.706900    
 H   -4.744100     -9.1600001E-02  -2.830700    
 H   -5.147900       1.610900      -3.057800    
 H    2.749900     -0.8209000      -2.303400    
 H   0.7773000       2.492200      -1.597400    
 H    1.460100      -1.635600       1.734700    
 H    3.120300      0.5443000       1.464900    
 H    4.218600      -2.808900      -2.217800    
 H    2.033500       4.583600      -1.198200    
 H    2.909600      -3.612800       1.795100    
 H    4.360500       2.617800       1.832100    
 H    4.300100      -4.208200     -0.1709000    
 H    3.826400       4.650700      0.5149000    


%chk=000018574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018574

0 1
O -0.871595 -0.827223 -1.191065
O -0.402817 -0.687325 1.088774
N -4.238973 0.396386 0.003609
C -2.915594 0.476031 -0.660461
C -2.344607 -0.947333 -0.876855
C -4.112341 0.312213 1.488465
C -5.194278 1.446189 -0.442208
C 1.425876 -0.473042 -0.592731
C -2.974640 -1.691578 -2.049278
C -0.014037 -0.677772 -0.104981
C 2.420692 -1.487975 -0.007172
C 1.830943 0.991036 -0.321740
C -5.301665 -0.405544 2.153189
C -5.755274 1.192885 -1.854293
C 3.525614 -1.872638 -0.810270
C 1.881076 1.911889 -1.397274
C 2.307376 -2.025558 1.300145
C 2.135286 1.442306 0.986969
C 4.499063 -2.770631 -0.321499
C 2.236858 3.261646 -1.173590
C 3.279616 -2.928885 1.787380
C 2.488504 2.790704 1.211467
C 4.379103 -3.303869 0.982938
C 2.542286 3.705174 0.133076
H -2.188162 1.076892 -0.067181
H -3.021839 0.967474 -1.644076
H -2.432068 -1.520386 0.063795
H 1.397955 -0.611508 -1.687084
H -3.182786 -0.241184 1.717141
H -3.983265 1.329793 1.935663
H -6.037040 1.452293 0.272617
H -4.733038 2.465354 -0.394955
H -2.599786 -2.727051 -2.116555
H -2.757245 -1.176988 -3.002498
H -4.068164 -1.714403 -1.899293
H -6.256438 0.123947 1.980148
H -5.403030 -1.428500 1.750316
H -5.148810 -0.469399 3.246750
H -4.959522 1.188306 -2.621424
H -6.268403 0.215852 -1.890492
H -6.478598 1.983361 -2.128626
H 3.625961 -1.461759 -1.822699
H 1.639813 1.572161 -2.412128
H 1.452927 -1.748045 1.925712
H 2.096942 0.740035 1.825919
H 5.345337 -3.055820 -0.956774
H 2.276282 3.962265 -2.015353
H 3.175773 -3.340071 2.798061
H 2.723704 3.128614 2.227097
H 5.131141 -4.003746 1.364349
H 2.819988 4.750425 0.309674


