%chk=000118570.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118570

0 1
 O  -0.6538000     -0.1222000      0.5558000    
 O   -1.817400      0.5164000      -1.306600    
 N    2.852300      0.9515000      0.2599000    
 N   -2.900100     -0.2854000      0.6131000    
 C    1.601100      0.6493000      0.9153000    
 C    3.091900       2.322900     -0.1915000    
 C    3.820200     -3.8300000E-02  4.1700002E-02
 C   0.5704000      0.2086000     -0.1102000    
 C    3.969200       3.055200      0.8056000    
 C    5.019000      0.2772000     -0.6075000    
 C    3.597800      -1.351300      0.4716000    
 C    5.983000     -0.7074000     -0.8239000    
 C    4.561900      -2.335900      0.2553000    
 C    5.754500      -2.014000     -0.3924000    
 C   -1.802400      8.0100000E-02 -0.1621000    
 C   -4.254200     -0.2429000      0.2795000    
 C   -5.213400     -0.6568000       1.203800    
 C   -4.648800      0.2126000     -0.9784000    
 C   -6.567000     -0.6149000      0.8703000    
 C   -6.002600      0.2545000      -1.311900    
 C   -6.961800     -0.1593000     -0.3876000    
 H    1.217100       1.550600       1.414000    
 H    1.690600     -6.2600002E-02   1.743500    
 H    3.497400       2.366300      -1.208400    
 H    2.135800       2.858800     -0.2565000    
 H   0.9068000     -0.6844000     -0.6480000    
 H   0.4250000       1.010700     -0.8439000    
 H    4.114000       4.092400      0.4865000    
 H    4.957400       2.601500      0.9194000    
 H    3.501700       3.072700       1.796300    
 H    5.259900       1.269800     -0.9714000    
 H    2.686700      -1.669100      0.9667000    
 H    6.911700     -0.4580000      -1.329200    
 H    4.383200      -3.354500      0.5876000    
 H    6.504500      -2.780900     -0.5619000    
 H   -2.683900     -0.6283000       1.546100    
 H   -4.920100      -1.014300       2.187600    
 H   -3.964400      0.5487000      -1.745000    
 H   -7.314000     -0.9371000       1.589900    
 H   -6.311200      0.6091000      -2.291200    
 H   -8.015800     -0.1267000     -0.6472000    


%chk=000118570-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118570

0 1
O -0.638481 -1.125991 -0.250257
O -1.566808 0.956947 -0.861817
N 2.698437 0.675234 -0.088683
N -2.845568 -0.803183 0.090931
C 1.391245 0.189217 0.371400
C 2.732849 2.036746 -0.662280
C 3.869080 -0.088709 0.078399
C 0.685193 -0.646102 -0.723328
C 3.070649 3.138351 0.370488
C 5.156094 0.441507 -0.255862
C 3.820724 -1.428455 0.581486
C 6.322623 -0.333416 -0.098960
C 4.998191 -2.186200 0.741397
C 6.263257 -1.653928 0.402453
C -1.696452 -0.198524 -0.383469
C -4.159028 -0.258561 0.154696
C -5.181208 -1.086480 0.691652
C -4.472824 1.052269 -0.291422
C -6.504492 -0.609878 0.781918
C -5.803457 1.513323 -0.192762
C -6.825589 0.694924 0.340130
H 0.752104 1.056248 0.616299
H 1.492998 -0.410241 1.294113
H 3.452801 2.064015 -1.501577
H 1.739027 2.241608 -1.102204
H 1.243694 -1.565133 -0.958256
H 0.546848 -0.039241 -1.635537
H 3.081850 4.132797 -0.113486
H 4.058218 2.964206 0.831865
H 2.317668 3.160903 1.179092
H 5.253927 1.464750 -0.629482
H 2.864048 -1.890620 0.843289
H 7.290444 0.107612 -0.365860
H 4.920906 -3.208894 1.129497
H 7.173653 -2.249226 0.525271
H -2.717469 -1.760684 0.426285
H -4.940143 -2.100243 1.036536
H -3.685680 1.685454 -0.705697
H -7.283369 -1.258742 1.197335
H -6.040118 2.525695 -0.539010
H -7.853642 1.065242 0.410117


