%chk=000058640.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058640

0 1
 I   -1.020900       1.831100     -7.3899999E-02
 I   -1.851300      -4.174500      0.4306000    
 I   -6.577700     -0.5661000      0.9014000    
 O    2.123400     -0.4766000     -0.7611000    
 O  -0.4266000      -1.303400      3.8400002E-02
 O    4.584700      -2.752100     -0.7624000    
 O    3.712500      -2.042400       1.205000    
 O   -4.774000       2.006300      -1.854000    
 N   -4.222200       1.645300      0.4079000    
 C    3.544700     -0.5832000     -0.7415000    
 C    4.141300      0.6556000     -0.1635000    
 C    1.524400      -1.642400      -1.306700    
 C   1.7400000E-02  -1.472800      -1.302300    
 C   -1.771000      -1.115100      0.2239000    
 C    5.385800       1.103100     -0.6072000    
 C    3.454900       1.366400      0.8212000    
 C   -3.675300      0.3545000      0.4111000    
 C   -2.305600      0.1711000      0.2203000    
 C    3.932100      -1.849900      1.6200000E-02
 C   -2.598400      -2.219000      0.4175000    
 C   -4.506300     -0.7488000      0.6052000    
 C    5.943700       2.261600     -6.6299997E-02
 C    4.012900       2.524800       1.362000    
 C   -3.968000      -2.035400      0.6082000    
 C    5.257200       2.972200      0.9183000    
 C   -4.717500       2.365100     -0.6822000    
 C   -5.220100       3.724700     -0.2661000    
 H    3.877200     -0.6769000      -1.784200    
 H    1.876200      -1.801300      -2.332300    
 H    1.754500      -2.524700     -0.7011000    
 H  -0.2524000     -0.5972000      -1.902200    
 H  -0.4509000      -2.350700      -1.759100    
 H    5.932100      0.5574000      -1.372000    
 H    2.491200       1.031300       1.194600    
 H    6.912900       2.609700     -0.4111000    
 H    3.480100       3.076500       2.130900    
 H   -4.615200      -2.896900      0.7593000    
 H    5.692100       3.873600       1.340100    
 H   -4.145100       2.136900       1.295700    
 H    4.837600      -3.554400     -0.2580000    
 H   -4.379000       4.341800      6.1799999E-02
 H   -5.712800       4.212000      -1.111900    
 H   -5.940500       3.624700      0.5508000    


%chk=000058640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058640

0 1
I -1.124239 1.734784 0.414947
I -2.067627 -4.306731 0.237082
I -6.866456 -0.562619 0.838953
O 2.151321 -0.586397 -0.719575
O -0.590702 -1.426358 0.111656
O 5.381306 -2.278903 -0.497927
O 3.627907 -2.398342 1.029713
O -3.880020 2.251492 -1.666364
N -4.449365 1.637459 0.518139
C 3.597608 -0.687553 -0.804661
C 4.188009 0.613181 -0.260709
C 1.426151 -1.771164 -1.201299
C -0.048871 -1.420248 -1.279388
C -1.967241 -1.210544 0.218879
C 5.407728 1.114724 -0.773168
C 3.522613 1.300783 0.783420
C -3.900672 0.324933 0.471161
C -2.500621 0.104272 0.329227
C 4.147684 -1.866957 0.030606
C -2.851410 -2.315281 0.332512
C -4.743812 -0.815681 0.588453
C 5.961565 2.302709 -0.245845
C 4.078215 2.489560 1.305582
C -4.233103 -2.127454 0.539785
C 5.297935 2.992850 0.795142
C -4.427426 2.533945 -0.568245
C -5.089613 3.876361 -0.280244
H 3.930554 -0.850477 -1.851831
H 1.781768 -2.046247 -2.219723
H 1.576185 -2.625050 -0.512360
H -0.192307 -0.420150 -1.728836
H -0.587734 -2.185731 -1.871820
H 5.925945 0.576552 -1.575587
H 2.573698 0.906375 1.159602
H 6.904477 2.689622 -0.648001
H 3.560848 3.021686 2.111869
H -4.899186 -2.986503 0.640173
H 5.727030 3.915008 1.203098
H -5.041334 1.874091 1.318192
H 5.774582 -2.984920 0.083828
H -4.333999 4.578927 0.117844
H -5.474858 4.291190 -1.223928
H -5.914433 3.804704 0.450945


