%chk=000102732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102732

0 1
 O    2.091400       1.432200       1.895700    
 O    1.363800      -3.418700      0.2636000    
 O    2.108500      -2.982600      -1.895500    
 O   -6.218600       1.714100     -0.1576000    
 O   -6.440000     -0.1351000      -1.510500    
 N    3.342100      0.4637000      0.1255000    
 N    3.296000     -0.6925000     -0.6283000    
 N   0.2157000     -0.4012000      0.4770000    
 N  -0.6727000     -0.8810000       1.219500    
 C    1.551400     -0.7394000      0.9341000    
 C    2.293600      -1.373500     -0.1830000    
 C    2.327000      0.5387000       1.099500    
 C    4.320300       1.409600     -0.1361000    
 C    1.913400      -2.691600     -0.7284000    
 C    5.266500       1.187900      -1.143400    
 C    4.373100       2.596000      0.6048000    
 C    6.252000       2.139500      -1.406100    
 C    5.358500       3.547600      0.3420000    
 C   -1.945900     -0.5286000      0.7412000    
 C    6.297800       3.319400     -0.6634000    
 C   0.9424000      -4.735800     -0.1027000    
 C   -2.548500      0.6455000       1.182500    
 C   -2.595800      -1.356300     -0.1693000    
 C   -4.468900      0.1691000     -0.2039000    
 C   -3.813000      0.9951000      0.7089000    
 C   -3.860300      -1.006600     -0.6431000    
 C   0.3508000      -5.419700       1.111300    
 C   -5.786400      0.5347000     -0.6997000    
 C   -7.508000       2.181000     -0.5686000    
 C   -7.805900       3.488500      0.1338000    
 H    1.607200      -1.337600       1.849500    
 H    5.265500      0.2819000      -1.743800    
 H    3.682800       2.845300       1.398800    
 H    6.983900       1.962300      -2.188800    
 H    5.395600       4.466700      0.9196000    
 H    7.065200       4.060200     -0.8681000    
 H   0.1884000      -4.670000     -0.8951000    
 H    1.803500      -5.306700     -0.4676000    
 H   -2.044300       1.294100       1.894000    
 H   -2.128500      -2.274500     -0.5156000    
 H   -4.247900       1.919700       1.078200    
 H   -4.353700      -1.664200      -1.353900    
 H  -0.5005000      -4.849200       1.497500    
 H    1.087900      -5.476500       1.919000    
 H   1.6200000E-02  -6.431600      0.8662000    
 H   -8.266000       1.435700     -0.3037000    
 H   -7.510800       2.332900      -1.653600    
 H   -8.786500       3.874800     -0.1579000    
 H   -7.787200       3.355100       1.220500    
 H   -7.044400       4.237600     -0.1074000    


%chk=000102732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102732

0 1
O 2.407163 1.189704 2.238820
O 1.094757 -3.139842 -0.610579
O 2.686581 -2.790307 -2.296770
O -6.358690 1.364681 -0.183005
O -6.926059 0.098664 1.691158
N 3.612134 0.521918 0.271641
N 3.529191 -0.508735 -0.686179
N 0.349715 -0.373191 0.532756
N -0.490175 -0.818485 1.416048
C 1.745235 -0.807690 0.849643
C 2.487970 -1.272021 -0.385467
C 2.587320 0.433687 1.260075
C 4.674377 1.480380 0.154748
C 2.144658 -2.446824 -1.222137
C 5.606419 1.345482 -0.906091
C 4.788117 2.545429 1.085165
C 6.651943 2.281953 -1.030839
C 5.843296 3.471892 0.940976
C -1.857605 -0.420597 1.194907
C 6.778627 3.349346 -0.110880
C 0.598669 -4.351028 -1.336060
C -2.300876 0.417408 0.133134
C -2.783894 -0.931651 2.139686
C -4.596397 0.218926 0.969416
C -3.664488 0.733017 0.024795
C -4.149600 -0.614147 2.026914
C -0.540092 -4.925770 -0.501493
C -6.056007 0.529181 0.892844
C -7.800006 1.732658 -0.338296
C -7.893729 2.640726 -1.559575
H 1.744991 -1.553819 1.667994
H 5.500699 0.519689 -1.613243
H 4.069999 2.644501 1.901388
H 7.369499 2.175395 -1.851573
H 5.929413 4.293757 1.660031
H 7.593847 4.073407 -0.213380
H 0.273443 -4.036415 -2.344296
H 1.444106 -5.053725 -1.449797
H -1.567747 0.803531 -0.580904
H -2.407190 -1.567859 2.946598
H -4.028201 1.376048 -0.781122
H -4.885016 -0.994571 2.742507
H -1.352379 -4.188593 -0.382509
H -0.186612 -5.219275 0.501522
H -0.952290 -5.821260 -1.001241
H -8.130112 2.232365 0.590408
H -8.383714 0.801395 -0.453147
H -8.944879 2.942953 -1.718637
H -7.288163 3.552654 -1.421317
H -7.541545 2.121060 -2.467037


