%chk=000010073.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010073

0 1
 O   -4.158100     -0.4081000     -0.1603000    
 O   -3.710100       1.912300     -0.2384000    
 N    2.720700      0.7349000       1.213800    
 N   -1.527700       1.123700     -2.2000000E-02
 C   0.5167000      0.1566000      0.8512000    
 C    1.942500     -0.3222000      0.5385000    
 C    2.338500     -0.4271000     -0.9512000    
 C  -3.7799999E-02   1.275300     -8.7800004E-02
 C   0.6456000      0.6886000       2.307100    
 C    1.900300      0.8445000      -1.710300    
 C   0.4132000       1.139900      -1.556900    
 C    2.142500      0.8680000       2.544900    
 C    3.880500     -0.6081000      -1.051900    
 C  -0.6156000     -0.8375000      0.7902000    
 C    1.699600      -1.673900      -1.601700    
 C    4.151000      0.4573000       1.225700    
 C    4.668600      0.3969000     -0.2100000    
 C   -1.793300     -0.2182000      0.3477000    
 C  -0.6188000      -2.166300       1.193400    
 C    2.142400      -1.814900      -3.038600    
 C   -2.491400       2.081000     -0.3060000    
 C   -2.992800     -0.9142000      0.3145000    
 C   -1.817900      -2.877100       1.144300    
 C   -2.996000      -2.254300      0.7116000    
 C   -1.966800       3.440700     -0.6988000    
 C   -4.436100     -0.5980000      -1.549000    
 H    2.139200      -1.285200       1.032600    
 H   0.2519000       2.269300      0.2701000    
 H   0.2479000     -1.5900001E-02   3.048200    
 H   0.1129000       1.636600       2.447500    
 H    2.165900      0.8143000      -2.770900    
 H    2.443200       1.716000      -1.322200    
 H   0.1934000       2.070000      -2.092200    
 H  -0.1723000      0.3711000      -2.075200    
 H    2.364300       1.844400       2.986900    
 H    2.502600      8.8200003E-02   3.227800    
 H    4.231200     -0.4999000      -2.084200    
 H    4.157300      -1.617800     -0.7200000    
 H   0.6074000      -1.636400      -1.574000    
 H    1.986600      -2.577800      -1.049400    
 H    4.370500     -0.4859000       1.742100    
 H    4.684400       1.253900       1.757600    
 H    5.728700      0.1174000     -0.2057000    
 H    4.612700       1.392400     -0.6669000    
 H   0.2820000      -2.647900       1.558200    
 H    1.831300     -0.9873000      -3.679200    
 H    3.215700      -1.981600      -3.155200    
 H    1.662600      -2.707300      -3.460100    
 H   -1.841800      -3.918500       1.453200    
 H   -3.916700      -2.832300      0.6799000    
 H   -2.802900       4.145300     -0.7551000    
 H   -1.497600       3.397600      -1.682700    
 H   -1.264700       3.820000      4.6599999E-02
 H   -3.609900     -0.2322000      -2.167500    
 H   -5.338900     -3.3799998E-02  -1.798300    
 H   -4.617400      -1.657200      -1.756600    


%chk=000010073-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000010073

0 1
O -4.195107 -0.854118 -0.609214
O -3.614298 1.861460 0.672259
N 2.659907 0.874608 1.090251
N -1.594307 1.018615 -0.144200
C 0.445424 0.140183 0.758769
C 1.924105 -0.272402 0.485074
C 2.354694 -0.511010 -0.998549
C -0.102495 1.172592 -0.291908
C 0.532935 0.790307 2.194432
C 1.852252 0.680079 -1.862313
C 0.327263 0.882180 -1.748053
C 2.035168 1.125528 2.410536
C 3.915074 -0.601451 -1.041727
C -0.646423 -0.928213 0.732202
C 1.765464 -1.877681 -1.482045
C 4.123708 0.716215 1.111669
C 4.644097 0.558727 -0.328299
C -1.840281 -0.366376 0.195666
C -0.615189 -2.237161 1.234993
C 2.105915 -2.287046 -2.932345
C -2.461452 2.068744 0.186162
C -2.998889 -1.172791 0.037739
C -1.803515 -3.009887 1.180205
C -2.964882 -2.487684 0.581764
C -1.954546 3.485048 -0.089780
C -4.158055 0.034789 -1.781353
H 2.139577 -1.218534 1.056916
H 0.206436 2.191529 -0.012941
H 0.173200 0.076534 2.954207
H -0.115056 1.682111 2.258301
H 2.133052 0.522159 -2.921069
H 2.361448 1.602977 -1.527862
H 0.004461 1.725821 -2.388839
H -0.210128 -0.013026 -2.113515
H 2.211207 2.169696 2.728430
H 2.465587 0.456319 3.197654
H 4.248834 -0.653966 -2.095525
H 4.220457 -1.557108 -0.564184
H 0.667291 -1.878302 -1.362895
H 2.136544 -2.666328 -0.794439
H 4.426248 -0.178067 1.721266
H 4.570064 1.606549 1.593701
H 5.733552 0.363197 -0.313106
H 4.489768 1.509268 -0.872193
H 0.303764 -2.654733 1.660048
H 1.714101 -1.562668 -3.669797
H 3.194464 -2.380642 -3.095433
H 1.651766 -3.267891 -3.164396
H -1.814283 -4.032371 1.572884
H -3.872484 -3.090999 0.480760
H -2.829936 4.151638 -0.116793
H -1.402227 3.564918 -1.041983
H -1.290435 3.832286 0.724105
H -4.139630 1.090191 -1.470294
H -5.094461 -0.175694 -2.321327
H -3.290550 -0.198820 -2.428314


