%chk=000176566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176566

0 1
 O   -3.934900       2.021500     -0.3069000    
 O    4.051900      -2.318700      0.6708000    
 O    4.570500       3.399500      0.1184000    
 O    5.573600      -1.011300     -0.3758000    
 O    5.892100       1.563300      0.1670000    
 N    1.475800      0.8891000     -5.1800001E-02
 N    2.360400       1.899500     -7.9999998E-04
 C    2.048100     -0.3515000     -3.3300001E-02
 C    3.405000     -0.1316000      3.4200002E-02
 C   0.1107000       1.174600     -0.1158000    
 C    1.304900      -1.587300     -7.8199998E-02
 C    3.537200       1.269800      5.1600002E-02
 C  -0.7425000      0.2951000     -0.7686000    
 C  -0.3743000       2.334000      0.4739000    
 C   0.8871000      -2.193400       1.106500    
 C    1.003900      -2.175800      -1.306600    
 C   -2.604200       1.742600     -0.2437000    
 C   -2.106300      0.5804000     -0.8328000    
 C   -1.738300       2.619400      0.4098000    
 C    4.424500      -1.138900      7.5700000E-02
 C   0.1682000      -3.387900       1.062900    
 C   0.2850000      -3.370300      -1.350000    
 C    4.748200       2.039200      0.1158000    
 C  -0.1329000      -3.976500     -0.1653000    
 C   -4.821700      0.9918000     -4.0700000E-02
 C   -4.592500      0.1698000       1.048000    
 C   -5.913700      0.8116000     -0.8701000    
 C   -5.485700     -0.8673000       1.316200    
 C   -6.807000     -0.2257000     -0.6018000    
 C   -6.593000      -1.065100      0.4914000    
 H  -0.4427000     -0.5031000      -1.414300    
 H   0.2729000       3.030800      0.9999000    
 H    1.113000      -1.747200       2.072100    
 H    1.339800      -1.729200      -2.240300    
 H   -2.750200     -8.5900001E-02  -1.401500    
 H   -2.121100       3.524700      0.8730000    
 H  -0.1574000      -3.859700       1.985400    
 H   5.4499999E-02  -3.830900      -2.306200    
 H  -0.6920000      -4.906900     -0.1991000    
 H    4.784700      -2.970800      0.6707000    
 H   -3.751300      0.3173000       1.718900    
 H   -6.081400       1.464100      -1.721600    
 H    5.427000       3.875800      0.1635000    
 H   -5.322100      -1.517800       2.170400    
 H   -7.669200     -0.3796000      -1.244100    
 H   -7.289100      -1.871900      0.7012000    


%chk=000176566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176566

0 1
O -4.022930 1.944422 0.445569
O 5.738378 -0.691809 0.327864
O 4.637427 3.359534 0.312797
O 4.703761 -2.089656 -1.211209
O 5.728481 1.900641 -1.132279
N 1.480425 0.708422 0.013399
N 2.330089 1.813220 -0.001315
C 2.161180 -0.503607 -0.169766
C 3.522414 -0.146606 -0.322394
C 0.066973 0.961067 0.124534
C 1.525106 -1.832015 -0.027308
C 3.571883 1.282922 -0.197692
C -0.865566 0.221817 -0.639202
C -0.370284 2.010450 0.967296
C 0.681453 -2.100669 1.087249
C 1.767046 -2.861112 -0.975680
C -2.677521 1.535393 0.330924
C -2.241873 0.502427 -0.533598
C -1.743252 2.295747 1.071798
C 4.661979 -1.070859 -0.478959
C 0.084379 -3.367918 1.241101
C 1.161441 -4.127096 -0.818958
C 4.746490 2.162841 -0.400223
C 0.317697 -4.385404 0.285034
C -5.096318 1.047851 0.188588
C -5.096048 -0.289419 0.648289
C -6.222006 1.599801 -0.458998
C -6.244086 -1.084679 0.434832
C -7.364319 0.793885 -0.660035
C -7.378993 -0.550567 -0.219632
H -0.524462 -0.559086 -1.324144
H 0.368652 2.597179 1.519107
H 0.508531 -1.322822 1.838799
H 2.436471 -2.670443 -1.818495
H -2.960703 -0.059621 -1.136211
H -2.107130 3.102054 1.714512
H -0.554757 -3.564473 2.108751
H 1.356315 -4.911612 -1.557895
H -0.147301 -5.370183 0.405215
H 6.522287 -1.267551 0.117087
H -4.225597 -0.695957 1.172868
H -6.188049 2.642349 -0.788784
H 5.426558 3.927295 0.096172
H -6.252153 -2.120833 0.790574
H -8.240821 1.217103 -1.162468
H -8.265746 -1.172821 -0.379114


