%chk=000105567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105567

0 1
 O    2.671400       1.529400     -1.0200000E-02
 O   -2.671400       1.529400      8.2999999E-03
 O    7.202200      -3.077600      2.0000000E-02
 O   -7.202300      -3.077400     -1.9700000E-02
 N    2.808000      -1.076800     -7.6000001E-03
 N   -2.808000      -1.076800      7.7000000E-03
 C   0.6982000      0.2166000     -2.2000000E-03
 C  -0.6982000      0.2165000      2.0000001E-03
 C    1.396400     -0.9969000     -4.0000002E-03
 C   -1.396500     -0.9969000      4.0000002E-03
 C    1.447500       1.489600     -4.9000001E-03
 C   -1.447400       1.489600      4.8000002E-03
 C   0.6983000       2.762600     -2.4000001E-03
 C  -0.6982000       2.762600      2.2000000E-03
 C   0.6967000      -2.204000     -1.9000000E-03
 C  -0.6968000      -2.204000      1.9000000E-03
 C    3.512200      -2.319600     -9.3000000E-03
 C   -3.512200      -2.319500      9.4999997E-03
 C    5.019200      -2.091700     -1.6000000E-03
 C   -5.019200      -2.091700      1.7000000E-03
 C    1.396600       3.976200     -4.4999998E-03
 C   -1.396400       3.976100      4.6999999E-03
 C   0.6968000       5.183200     -1.7000000E-03
 C  -0.6966000       5.183100      2.7000001E-03
 C    5.815900      -3.391100     -5.1000002E-03
 C   -5.816000      -3.391000      5.4000001E-03
 H    1.182600      -3.174500     -3.5999999E-03
 H   -1.182700      -3.174500      3.8999999E-03
 H    3.334200     -0.2120000     -1.1100000E-02
 H   -3.334000     -0.2120000      1.1500000E-02
 H    3.252600      -2.910100      0.8780000    
 H    3.258500      -2.903800     -0.9025000    
 H   -3.252700      -2.910100     -0.8777000    
 H   -3.258700      -2.903600      0.9027000    
 H    5.313600      -1.485800     -0.8687000    
 H    5.305000      -1.495300      0.8749000    
 H   -5.310400      -1.484600      0.8692000    
 H   -5.305300      -1.494900     -0.8745000    
 H    2.482900       4.005800     -8.0000004E-03
 H   -2.482700       4.005800      8.2999999E-03
 H    1.239100       6.124300     -3.3000000E-03
 H   -1.239000       6.124200      4.6000001E-03
 H    5.605600      -3.975000     -0.9066000    
 H    5.579400      -3.995700      0.8762000    
 H   -5.607000      -3.988300      0.8983000    
 H   -5.586900      -3.993800     -0.8785000    
 H    7.685200      -3.921600      1.7200001E-02
 H   -7.402900      -2.568400      0.7842000    


%chk=000105567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105567

0 1
O 2.777352 1.422504 0.001289
O -2.768110 1.435745 0.009210
O 7.410776 -2.765977 -0.004417
O -7.467820 -2.890787 -0.034873
N 2.819949 -1.148192 -0.002704
N -2.822447 -1.132067 0.003209
C 0.725797 0.130009 0.001562
C -0.721712 0.133549 0.003412
C 1.446070 -1.122410 -0.000707
C -1.447747 -1.115217 0.002464
C 1.474645 1.389806 0.001741
C -1.464780 1.397022 0.006206
C 0.720191 2.665728 0.003361
C -0.704891 2.669222 0.005479
C 0.688854 -2.348049 -0.001263
C -0.697663 -2.344735 0.000357
C 3.633746 -2.366889 -0.005617
C -3.643199 -2.345251 0.000763
C 5.131552 -2.002748 -0.003985
C -5.140521 -1.976186 0.000476
C 1.425956 3.897339 0.002418
C -1.404513 3.904468 0.006314
C 0.724392 5.116381 0.003344
C -0.696884 5.119963 0.005232
C 6.021919 -3.248733 -0.008556
C -6.039367 -3.226128 0.037403
H 1.219093 -3.304745 -0.003579
H -1.232657 -3.298857 -0.000999
H 3.253098 -0.195078 -0.003439
H -3.246834 -0.174481 0.002030
H 3.400826 -2.989610 0.885991
H 3.401501 -2.985001 -0.900651
H -3.419026 -2.966706 -0.893483
H -3.414840 -2.970270 0.892184
H 5.372298 -1.389630 -0.892305
H 5.371881 -1.396414 0.889086
H -5.357241 -1.334270 0.879193
H -5.383442 -1.386607 -0.903307
H 2.519485 3.861706 0.000680
H -2.498202 3.874630 0.007290
H 1.272977 6.064630 0.002318
H -1.240632 6.071007 0.005542
H 5.817133 -3.862345 -0.913744
H 5.814803 -3.870695 0.890403
H -5.818922 -3.831682 0.944283
H -5.864677 -3.857589 -0.850546
H 8.031540 -3.537278 -0.009582
H -7.703107 -2.313080 0.734816


