%chk=000115772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115772

0 1
 O   -4.978500       3.026600       1.111600    
 O    7.775600       1.501700      0.1156000    
 N   0.3291000     -0.7716000      6.3100003E-02
 C   -2.019400     -0.7260000     -4.0199999E-02
 C   -1.488100      -1.401300      -1.330200    
 C  -0.7933000      0.1148000      0.3750000    
 C   -2.316600      -1.802500       1.030200    
 C   3.9000001E-02  -1.322000      -1.259000    
 C   -3.296500      8.2900003E-02 -0.2579000    
 C    1.614500     -9.3599997E-02  0.1207000    
 C   -2.709100      -1.145700       2.349300    
 C   -3.414300      -2.744100      0.5461000    
 C   -3.556400       1.197700      0.5367000    
 C   -4.197700     -0.2958000      -1.251000    
 C    2.758900      -1.063000     -0.1776000    
 C   -4.722400       1.937000      0.3373000    
 C   -5.363600      0.4433000      -1.450300    
 C    4.099700     -0.3773000     -9.9100001E-02
 C   -5.625900       1.559700     -0.6563000    
 C    4.632500      0.2078000      -1.237500    
 C    4.777100     -0.3438000       1.110200    
 C    5.872800      0.8418000      -1.164800    
 C    6.017400      0.2903000       1.183000    
 C    6.565300      0.8832000      4.5400001E-02
 H   -1.791400     -0.8470000      -2.228000    
 H   -1.791400      -2.437100      -1.485000    
 H  -0.7393000       1.028100     -0.2361000    
 H  -0.7639000      0.4306000       1.418700    
 H   -1.420300      -2.410100       1.211200    
 H   0.4793000      -2.317300      -1.380200    
 H   0.4047000     -0.6794000      -2.070200    
 H    1.646800      0.7543000     -0.5771000    
 H    1.755400      0.3237000       1.126400    
 H   -1.988800     -0.4230000       2.733800    
 H   -2.772000      -1.927000       3.118500    
 H   -3.703300     -0.6902000       2.330100    
 H   -3.234800      -3.216500     -0.4197000    
 H   -3.503200      -3.571600       1.262500    
 H   -4.403200      -2.275700      0.5288000    
 H   -2.867300       1.517100       1.313200    
 H   -4.034800      -1.166600      -1.878700    
 H    2.661400      -1.508600      -1.175400    
 H    2.737600      -1.905100      0.5272000    
 H   -6.069100      0.1478000      -2.221500    
 H   -6.538300       2.126600     -0.8213000    
 H    4.100000      0.1829000      -2.184000    
 H    4.357600     -0.8010000       2.001900    
 H   -5.826100       3.416400      0.8364000    
 H    6.294300       1.302100      -2.054300    
 H    6.546500      0.3159000       2.131800    
 H    8.111100       1.435000       1.026100    


%chk=000115772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115772

0 1
O -4.890296 3.185533 1.102325
O 7.883711 1.562537 0.275291
N 0.292700 -0.705718 -0.149105
C -2.093535 -0.717398 -0.144501
C -1.608955 -1.360001 -1.497196
C -0.853433 0.173913 0.174814
C -2.255637 -1.843514 0.964853
C -0.052014 -1.388781 -1.427665
C -3.379918 0.100955 -0.307157
C 1.614007 -0.061084 -0.105787
C -2.459951 -1.281472 2.393720
C -3.392201 -2.852112 0.663087
C -3.588117 1.281887 0.446522
C -4.407466 -0.315958 -1.199657
C 2.772722 -1.093735 -0.144610
C -4.782346 2.023610 0.311896
C -5.598534 0.428278 -1.328874
C 4.133638 -0.428182 -0.018160
C -5.801118 1.606405 -0.575544
C 4.781410 0.135651 -1.150061
C 4.776797 -0.310944 1.239144
C 6.022985 0.792901 -1.039175
C 6.021837 0.343667 1.371840
C 6.642650 0.897477 0.227057
H -1.937564 -0.728354 -2.341388
H -2.027705 -2.366984 -1.658158
H -0.886921 1.090491 -0.469113
H -0.791437 0.504894 1.225266
H -1.289184 -2.386645 0.953841
H 0.353992 -2.417089 -1.440578
H 0.381890 -0.847438 -2.304636
H 1.750967 0.666791 -0.949256
H 1.689007 0.519812 0.833581
H -1.605452 -0.671096 2.734760
H -2.569801 -2.116484 3.110707
H -3.375245 -0.664412 2.455652
H -3.309303 -3.306994 -0.340722
H -3.362799 -3.676592 1.399733
H -4.384284 -2.370498 0.736455
H -2.832676 1.652770 1.145495
H -4.275017 -1.223515 -1.797032
H 2.715771 -1.662358 -1.092856
H 2.609023 -1.815505 0.677158
H -6.377992 0.092768 -2.022097
H -6.728078 2.185015 -0.680826
H 4.309821 0.051186 -2.136958
H 4.301466 -0.741354 2.129085
H -5.753112 3.641216 0.939349
H 6.524793 1.223042 -1.911100
H 6.503737 0.416789 2.355995
H 8.234766 1.581027 1.199988


