%chk=000058835.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058835

0 1
 O   -8.403600      -1.302300     -0.3812000    
 O   -2.586100      0.9563000       1.032900    
 O    4.947200      0.2386000     -0.5608000    
 O    7.492800     -0.7928000      3.0000000E-03
 O    3.736600       2.116400     -7.1900003E-02
 N   -5.855900     -3.3500001E-02 -0.3481000    
 N    2.744800     -7.4000000E-03 -0.1546000    
 C   -6.155400      -1.179100      0.5221000    
 C   -7.085900      0.7197000     -0.6301000    
 C   -4.846400      0.8304000      0.2605000    
 C   -7.219200      -2.058900     -0.1283000    
 C   -8.128400     -0.2047000      -1.252400    
 C   -3.541300      7.5499997E-02  0.4562000    
 C   -1.269000      0.7182000      0.7382000    
 C  -0.8450000     -0.5808000      0.4831000    
 C  -0.3703000       1.778200      0.6993000    
 C    1.403700      0.2346000      0.1446000    
 C   0.4959000     -0.8235000      0.1854000    
 C   0.9706000       1.535500      0.4016000    
 C    6.123900       1.045100     -0.6895000    
 C    7.298900      0.1533000      -1.041400    
 C    3.793600      0.9047000     -0.2429000    
 C    8.571100      -1.672000     -0.2846000    
 C    8.727300      -2.651400      0.8591000    
 H   -5.285900      -1.823200      0.6756000    
 H   -6.511500     -0.8351000       1.501700    
 H   -7.487900       1.151500      0.2958000    
 H   -6.878700       1.540700      -1.326000    
 H   -5.186100       1.243100       1.219900    
 H   -4.649700       1.694800     -0.3873000    
 H   -6.861100      -2.502500      -1.065600    
 H   -7.487400      -2.879700      0.5447000    
 H   -9.065200      0.3403000      -1.406800    
 H   -7.801400     -0.5848000      -2.228000    
 H   -3.211400     -0.2978000     -0.5227000    
 H   -3.649000     -0.7594000       1.153500    
 H   -1.511900      -1.436000      0.5327000    
 H  -0.7049000       2.792200      0.8992000    
 H   0.8214000      -1.842900     -6.8999999E-03
 H    1.614400       2.404000      0.3880000    
 H    2.991300     -0.9783000     -0.3318000    
 H    6.310700       1.544700      0.2681000    
 H    5.972800       1.792600      -1.475900    
 H    8.203000      0.7589000      -1.167400    
 H    7.088100     -0.3842000      -1.973200    
 H    9.495800      -1.096900     -0.4067000    
 H    8.367200      -2.218700      -1.212100    
 H    8.920400      -2.120900       1.797500    
 H    9.551200      -3.345300      0.6701000    
 H    7.806700      -3.226700       1.002500    


%chk=000058835-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058835

0 1
O -8.686379 -1.460594 0.156962
O -2.678114 1.250736 0.135543
O 5.115868 0.267141 -0.265942
O 7.780765 -0.973135 0.245083
O 3.905391 2.180539 0.400647
N -6.127946 -0.128882 -0.206957
N 2.864458 0.149540 -0.256314
C -6.385304 -1.003386 0.968417
C -7.396396 0.497180 -0.664182
C -5.046026 0.856108 0.027578
C -7.426992 -2.074975 0.607785
C -8.424047 -0.594260 -1.004945
C -3.669013 0.212333 -0.184884
C -1.318588 0.912613 0.015985
C -0.837645 -0.353786 -0.397618
C -0.398572 1.938491 0.342138
C 1.475953 0.448292 -0.152594
C 0.553424 -0.575850 -0.478896
C 0.987135 1.717961 0.262151
C 6.373561 0.986192 0.049704
C 7.523038 0.213002 -0.571437
C 3.932626 0.988053 0.002639
C 8.855010 -1.810808 -0.307905
C 9.040473 -2.999402 0.634292
H -5.445950 -1.499065 1.276298
H -6.759103 -0.407758 1.839351
H -7.828450 1.172587 0.116463
H -7.193139 1.103029 -1.567274
H -5.086225 1.305117 1.048645
H -5.155603 1.685091 -0.694662
H -7.022718 -2.731954 -0.192580
H -7.694129 -2.682623 1.488138
H -9.399224 -0.154124 -1.271078
H -8.045922 -1.207905 -1.851140
H -3.561585 -0.118519 -1.236681
H -3.523421 -0.662688 0.481554
H -1.522549 -1.165729 -0.657999
H -0.789574 2.909833 0.660332
H 0.919092 -1.559259 -0.800666
H 1.693596 2.510454 0.517009
H 3.123219 -0.794241 -0.551744
H 6.491648 1.042536 1.146598
H 6.311726 2.011667 -0.357356
H 8.425544 0.866530 -0.592895
H 7.272096 -0.069873 -1.617236
H 9.793686 -1.216325 -0.389526
H 8.577400 -2.151920 -1.330702
H 9.315520 -2.651631 1.644872
H 9.838266 -3.667937 0.262454
H 8.103919 -3.577897 0.711676


