%chk=000147959.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147959

0 1
 O    5.036100      -1.955200      -2.087900    
 O    5.634900       1.467800       2.093300    
 O   -5.793500      -1.385900       1.074400    
 N    4.604100     -0.1362000      1.9500000E-02
 N  -0.9440000      0.5850000      0.2147000    
 N   -1.498900     -0.1289000     -0.6535000    
 N   -7.048100      0.6020000     -0.4720000    
 C    5.182700      -1.444400      0.2545000    
 C    5.481500      0.9846000     -0.2545000    
 C    3.206800      4.6300001E-02  7.0100002E-02
 C    4.687500      -2.427500     -0.7927000    
 C    5.329800       2.040000      0.8278000    
 C    2.604800       1.038400     -0.7038000    
 C    2.426400     -0.7662000      0.8926000    
 C    1.222300       1.218100     -0.6551000    
 C    1.044000     -0.5866000      0.9412000    
 C   0.4420000      0.4055000      0.1672000    
 C   -2.891800      5.1600002E-02 -0.6054000    
 C   -5.048100     -0.5820000      0.2647000    
 C   -3.665700     -0.7614000      0.2168000    
 C   -5.649700      0.4096000     -0.5101000    
 C   -3.486800       1.042400      -1.380400    
 C   -4.869100       1.221800      -1.332800    
 C   -6.007300     -0.9386000       2.411500    
 H    4.970100      -1.804900       1.266700    
 H    6.276400      -1.393500      0.1869000    
 H    5.297800       1.408800      -1.247500    
 H    6.527400      0.6538000     -0.2681000    
 H    5.159500      -3.404800     -0.6478000    
 H    3.606100      -2.581900     -0.7692000    
 H    6.025300       2.867000      0.6507000    
 H    4.324900       2.465700      0.8827000    
 H    3.170800       1.680100      -1.371300    
 H    2.854100      -1.537400       1.525200    
 H   0.7617000       1.991400      -1.264500    
 H   0.4444000      -1.221600       1.588300    
 H    6.002700      -1.852000      -2.113400    
 H    6.541900       1.120200       2.048300    
 H   -3.197700      -1.535700      0.8199000    
 H   -2.885900       1.678900      -2.024400    
 H   -5.325600       1.998000      -1.941800    
 H   -7.476600       1.321700      -1.038700    
 H   -7.623100      7.6000001E-03  0.1101000    
 H   -5.056000     -0.8759000       2.949300    
 H   -6.647300      -1.666300       2.917700    
 H   -6.508300      3.4499999E-02   2.421900    


%chk=000147959-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147959

0 1
O 6.378821 -2.484984 -0.828650
O 6.959741 1.533008 1.104996
O -6.587745 -1.076371 1.018242
N 4.519844 -0.098407 0.003954
N -1.067007 0.962465 -0.420394
N -1.910328 0.105982 0.122712
N -7.472000 1.057847 -0.308135
C 5.058880 -1.171745 0.855809
C 5.485455 0.714378 -0.754380
C 3.140545 0.143288 -0.082095
C 5.254576 -2.520932 0.128185
C 6.037332 1.930962 0.022229
C 2.623436 1.314707 -0.727407
C 2.184361 -0.777278 0.470933
C 1.241772 1.538663 -0.816660
C 0.807805 -0.540714 0.385498
C 0.303718 0.624865 -0.264382
C -3.283153 0.436750 -0.041308
C -5.580658 -0.252322 0.465144
C -4.201729 -0.473547 0.561705
C -6.097078 0.885078 -0.239110
C -3.785726 1.569732 -0.742266
C -5.169416 1.784724 -0.836678
C -6.147554 -2.260477 1.753884
H 4.387572 -1.318592 1.721772
H 6.023512 -0.824948 1.272337
H 5.009176 1.063621 -1.689042
H 6.319421 0.055893 -1.063685
H 5.401235 -3.331624 0.874865
H 4.372317 -2.758468 -0.487095
H 6.538786 2.629785 -0.682272
H 5.220763 2.464954 0.533408
H 3.300728 2.066564 -1.141914
H 2.523764 -1.700078 0.951357
H 0.853207 2.437746 -1.307428
H 0.089152 -1.252941 0.803428
H 7.227806 -2.484957 -0.317503
H 7.813008 1.235476 0.698089
H -3.783215 -1.333993 1.092237
H -3.070120 2.258877 -1.199779
H -5.555413 2.657385 -1.378225
H -7.878344 1.849402 -0.796555
H -8.074507 0.374064 0.143138
H -5.573821 -2.945787 1.100219
H -7.069347 -2.754907 2.095021
H -5.527073 -1.979241 2.626900


