%chk=000161215.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161215

0 1
 O    1.487600       3.832000     -0.7540000    
 O    3.884800      -2.188600     -2.9200001E-02
 O  -0.6650000      -3.701700      3.3500001E-02
 O   -4.816300       1.546100     -0.1181000    
 O   -5.029700      -1.203100     -0.4002000    
 N    1.795200       2.572100     -0.2844000    
 N  -0.2118000      -1.458700      0.4175000    
 C   8.8200003E-02  0.9570000      0.5713000    
 C   0.6909000       1.580400     -0.7185000    
 C   0.6856000     -0.4380000      0.9513000    
 C    2.094400     -0.6476000      0.4891000    
 C    2.382000     -0.1843000     -0.9555000    
 C    1.233000      0.5270000      -1.655900    
 C   0.3599000       2.049800       1.603000    
 C    1.732600       2.595300       1.228600    
 C   -1.357400      0.5402000      0.3880000    
 C    3.198500       2.196800     -0.8080000    
 C    3.550400      0.7302000     -0.7386000    
 C    2.635200      -2.049900      0.6916000    
 C   -1.474000     -0.8571000      0.2553000    
 C    1.638400      -3.092500      0.1709000    
 C   0.1337000      -2.785300      0.2398000    
 C    4.694600      0.2262000     -0.2282000    
 C   -2.475200       1.353200      0.2635000    
 C    4.914900      -1.216100      0.2428000    
 C   -2.693000      -1.454600     -2.1800000E-02
 C   -3.711000      0.7569000      6.0999999E-03
 C   -3.817600     -0.6340000     -0.1387000    
 C   -5.560900       1.807400       1.069200    
 C   -5.388000      -1.359200      -1.770900    
 H  -5.6499999E-02   2.192800      -1.240100    
 H   0.6455000     -0.5760000       2.043200    
 H    2.666700     -5.1300000E-02   1.212600    
 H    2.674600      -1.001100      -1.626900    
 H    1.574000      0.9823000      -2.594600    
 H   0.4515000     -0.1868000      -1.938700    
 H   0.3337000       1.688500       2.635900    
 H  -0.3755000       2.859500       1.524900    
 H    1.885200       3.626200       1.564400    
 H    2.542900       1.977600       1.618600    
 H    3.897100       2.825800     -0.2443000    
 H    3.211300       2.527100      -1.853900    
 H    2.824800      -2.237000       1.756100    
 H    1.810300      -4.036000      0.7040000    
 H    1.853400      -3.303100     -0.8855000    
 H    5.499900      0.9156000      1.6500000E-02
 H   -2.392900       2.432400      0.3436000    
 H    5.818800      -1.586200     -0.2528000    
 H    5.114100      -1.215800       1.320600    
 H   -2.797700      -2.527000     -0.1362000    
 H   -6.411200       2.443100      0.8076000    
 H   -4.941700       2.335000       1.801700    
 H   -5.940400      0.8754000       1.499700    
 H   -4.676400      -2.016300      -2.281000    
 H   -5.428000     -0.3873000      -2.272700    
 H   -6.380100      -1.816600      -1.815800    


%chk=000161215-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161215

0 1
O 1.502285 3.836418 -0.896075
O 4.002742 -2.222102 0.108261
O -0.622003 -3.640889 -0.241362
O -4.857566 1.618530 -0.061742
O -5.074294 -1.269986 -0.364561
N 1.862584 2.567182 -0.383376
N -0.167656 -1.459377 0.430769
C 0.135529 0.961166 0.568701
C 0.737123 1.512357 -0.769226
C 0.742996 -0.429331 1.005252
C 2.177869 -0.649599 0.579060
C 2.488020 -0.235276 -0.903366
C 1.307544 0.408079 -1.646330
C 0.459501 2.106024 1.568447
C 1.860881 2.610578 1.165857
C -1.330702 0.557942 0.390045
C 3.285850 2.180339 -0.985526
C 3.654860 0.733567 -0.738413
C 2.687898 -2.081798 0.796654
C -1.453714 -0.856306 0.264789
C 1.726036 -3.113114 0.172355
C 0.216908 -2.764122 0.130184
C 4.791430 0.261155 -0.154336
C -2.469533 1.369458 0.278853
C 5.010696 -1.164872 0.388467
C -2.690442 -1.471712 -0.003084
C -3.730749 0.770967 0.047541
C -3.830049 -0.643307 -0.124954
C -5.895081 1.406324 0.975996
C -5.702889 -0.916882 -1.660376
H 0.003003 2.150301 -1.282740
H 0.664751 -0.491470 2.113297
H 2.777124 -0.007155 1.244587
H 2.826419 -1.124796 -1.456546
H 1.640142 0.810732 -2.620578
H 0.518534 -0.333933 -1.861925
H 0.420039 1.769446 2.619462
H -0.270787 2.924131 1.440125
H 2.055038 3.660740 1.421908
H 2.663742 1.966356 1.566121
H 3.985626 2.909032 -0.545941
H 3.141752 2.434074 -2.048893
H 2.826570 -2.276269 1.882390
H 1.812911 -4.097648 0.662172
H 2.023667 -3.276757 -0.881723
H 5.633709 0.937526 0.057946
H -2.422143 2.459420 0.371417
H 5.940382 -1.589372 -0.033393
H 5.161357 -1.086925 1.492154
H -2.777540 -2.551994 -0.127603
H -6.707722 2.104147 0.723340
H -5.486409 1.650027 1.975178
H -6.258654 0.363356 0.963389
H -5.072188 -1.275849 -2.495288
H -5.852402 0.174791 -1.742659
H -6.669595 -1.442623 -1.668303


