%chk=000116193.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116193

0 1
 O  -4.6100002E-02  -1.741900     -0.8457000    
 O  -6.6600002E-02 -0.7252000       2.489400    
 O   0.1154000      -4.013800     -0.6540000    
 N   0.1042000      -2.609000       1.177900    
 C  -1.6200000E-02 -0.5674000      3.7700001E-02
 C    1.314400      0.1550000     -0.2210000    
 C   -1.343200      0.1838000     -0.1799000    
 C    1.633500       1.389500      0.3749000    
 C   -1.547400       1.577000     -7.6800004E-02
 C   0.6247000       2.164200       1.171900    
 C  -0.5053000       2.615700      0.2646000    
 C   4.9999999E-03  -1.265600       1.395300    
 C    2.317500     -0.4518000      -1.013300    
 C   -2.490700     -0.6083000     -0.4634000    
 C    2.904500       1.969100      0.1791000    
 C   -2.834400       2.112100     -0.3408000    
 C   7.0100002E-02  -2.905400     -0.1412000    
 C    3.571600      0.1336000      -1.205900    
 C   -3.754100     -6.2899999E-02 -0.6970000    
 C    3.867800       1.345200     -0.6047000    
 C   -3.924700       1.306100     -0.6471000    
 H   0.2644000       1.594500       2.030900    
 H    1.101900       3.057000       1.596900    
 H  -0.1151000       3.035500     -0.6723000    
 H   -1.006200       3.440300      0.7908000    
 H    2.153500      -1.410900      -1.498000    
 H   -2.420300      -1.693300     -0.5080000    
 H    3.146000       2.928000      0.6326000    
 H   -2.994000       3.188700     -0.2959000    
 H   0.1552000      -3.301200       1.916400    
 H    4.314200     -0.3660000      -1.821100    
 H   -4.594900     -0.7130000     -0.9188000    
 H    4.840000       1.806100     -0.7479000    
 H   -4.898300       1.747900     -0.8339000    


%chk=000116193-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116193

0 1
O -0.023404 -1.810978 -0.795784
O -0.070853 -0.552714 2.600924
O 0.132764 -4.118977 -0.436368
N 0.077455 -2.539829 1.346586
C -0.015947 -0.556258 0.043971
C 1.325190 0.160478 -0.240693
C -1.346549 0.187298 -0.230868
C 1.666251 1.387141 0.399952
C -1.565780 1.584182 -0.027048
C 0.668968 2.155257 1.246720
C -0.532766 2.628859 0.398055
C -0.010507 -1.152213 1.508539
C 2.258004 -0.454594 -1.113975
C -2.434789 -0.623070 -0.663969
C 2.947631 1.942620 0.161057
C -2.871348 2.095920 -0.271516
C 0.076296 -2.963258 0.002343
C 3.526167 0.120325 -1.345901
C -3.714475 -0.090554 -0.903537
C 3.880999 1.320602 -0.695768
C -3.938605 1.288428 -0.703703
H 0.308097 1.551245 2.096683
H 1.170020 3.046760 1.665527
H -0.141452 3.126274 -0.513795
H -1.071500 3.411380 0.965433
H 1.984563 -1.379349 -1.626332
H -2.268279 -1.686094 -0.852559
H 3.208979 2.885157 0.656599
H -3.041369 3.167973 -0.112734
H 0.119647 -3.198896 2.125119
H 4.226849 -0.371301 -2.029125
H -4.522514 -0.746136 -1.244754
H 4.866030 1.771669 -0.858810
H -4.927369 1.726249 -0.878569


