%chk=000035747.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035747

0 1
 O   0.9384000      -2.528200     -0.5833000    
 O   -1.393200       1.302900      -1.348200    
 O    2.151000       1.358100       1.651700    
 O    3.767600      -1.082900      0.2361000    
 O    1.042200       3.374200     -0.6581000    
 N    1.510300     -0.6463000      0.6648000    
 N   0.2855000       1.363200      0.2654000    
 C  -0.7135000     -0.7871000     -0.3577000    
 C   -1.566700      -1.057300      0.8954000    
 C   -2.965500     -0.4479000      0.7060000    
 C   -1.395700      -1.444300      -1.569900    
 C   0.6541000      -1.416500     -0.1355000    
 C  -0.6467000      0.7193000     -0.5613000    
 C   -1.608700      -2.559100       1.167000    
 C   -3.685900     -0.1692000       2.027400    
 C    1.362900      0.7348000      0.9320000    
 C  -0.5950000      -1.225500      -2.810200    
 C    2.720100      -1.284900       1.172700    
 C   0.2185000       2.818000      0.3554000    
 C   -5.033500      0.4972000       1.794100    
 C   -1.065200     -0.6014000      -3.895900    
 C    4.971000      -1.711400      0.6565000    
 C    1.048000       4.794300     -0.6043000    
 H   -1.099700     -0.5793000       1.767200    
 H   -2.949300      0.5045000      0.1750000    
 H   -3.595500      -1.123900      0.1140000    
 H   -1.485300      -2.530400      -1.462600    
 H   -2.411000      -1.064400      -1.730500    
 H   -2.164000      -2.739300       2.095800    
 H  -0.6230000      -3.001000       1.332500    
 H   -2.133200      -3.131000      0.3975000    
 H   -3.070400      0.4845000       2.656400    
 H   -3.838700      -1.103100       2.579000    
 H   0.4150000      -1.621100      -2.864800    
 H    2.540500      -2.358200       1.304100    
 H    2.996000     -0.8504000       2.140100    
 H   0.5631000       3.147600       1.342000    
 H  -0.8169000       3.148300      0.2127000    
 H   -4.914800       1.457900       1.282900    
 H   -5.534500      0.6819000       2.749600    
 H   -5.685400     -0.1382000       1.186100    
 H  -0.4421000     -0.4871000      -4.776200    
 H   -2.069900     -0.1949000      -3.929300    
 H    5.740200      -1.520400     -9.6600004E-02
 H    4.828500      -2.792800      0.7436000    
 H    5.306700      -1.296600       1.611900    
 H    1.690700       5.166500      -1.406500    
 H    1.449200       5.140100      0.3533000    
 H   3.7900001E-02   5.187800     -0.7545000    


%chk=000035747-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035747

0 1
O 0.827249 -2.583358 -0.398269
O -1.521207 1.471971 -1.101986
O 2.172140 1.335340 1.746820
O 3.716488 -1.047323 0.072114
O 1.262963 3.297318 -0.734561
N 1.488268 -0.652247 0.717892
N 0.318944 1.416532 0.319875
C -0.790569 -0.742078 -0.331747
C -1.714224 -1.018967 0.968761
C -3.183782 -0.563461 0.740772
C -1.421931 -1.339253 -1.627575
C 0.565237 -1.402643 -0.057946
C -0.692615 0.784229 -0.454826
C -1.656861 -2.495981 1.427472
C -3.933906 -0.272625 2.063244
C 1.374678 0.738836 0.984306
C -0.529613 -1.224940 -2.850187
C 2.738314 -1.296892 1.128685
C 0.367315 2.880987 0.342306
C -5.403221 0.136374 1.822584
C -0.791776 -0.425497 -3.913455
C 5.029370 -1.598965 0.413721
C 1.448997 4.749859 -0.746286
H -1.290553 -0.393995 1.784814
H -3.216083 0.349539 0.116979
H -3.726755 -1.350924 0.180564
H -1.638811 -2.405860 -1.434415
H -2.372776 -0.814771 -1.814836
H -2.374247 -2.649345 2.253054
H -0.658595 -2.789807 1.793240
H -1.928723 -3.186555 0.610162
H -3.408649 0.539471 2.606931
H -3.906633 -1.160565 2.725888
H 0.373350 -1.851160 -2.848623
H 2.543741 -2.381199 1.234224
H 3.069068 -0.842785 2.082381
H 0.762501 3.203721 1.324672
H -0.658400 3.257036 0.167065
H -5.464985 1.039421 1.186861
H -5.920965 0.355838 2.774147
H -5.961434 -0.670932 1.312358
H -0.117569 -0.384291 -4.776679
H -1.675616 0.223292 -3.939795
H 5.686948 -1.353846 -0.433590
H 4.987610 -2.701252 0.541102
H 5.433922 -1.139340 1.340130
H 2.139199 4.956449 -1.577779
H 1.897570 5.108861 0.204090
H 0.490729 5.282786 -0.921860


