%chk=000113866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113866

0 1
 O   0.6379000     -0.4824000      0.2068000    
 O  -0.6478000      -3.034200     -0.2131000    
 O  -0.6770000      0.5405000      -1.383400    
 N    4.228200      0.2984000     -0.1116000    
 C    3.018600     -0.2931000      0.4405000    
 C   -1.685200     -0.9118000      0.3058000    
 C    5.409000     -0.1465000      0.6327000    
 C    4.143300       1.760800     -9.7199999E-02
 C    1.798500      0.1347000     -0.3594000    
 C   -2.963400     -8.9299999E-02  0.2651000    
 C  -0.5466000     -0.1905000     -0.4098000    
 C   -1.877300      -2.318200     -0.2793000    
 C    5.519400      -1.661800      0.6324000    
 C    5.371500       2.388300     -0.7346000    
 C   -3.213000      0.8088000       1.283700    
 C   -3.837300     -0.2636000     -0.7894000    
 C   -4.385500       1.563600       1.246300    
 C   -5.009700      0.4913000     -0.8267000    
 C   -5.283700       1.404900      0.1912000    
 H    2.878600     -3.3100002E-02   1.498500    
 H    3.037300      -1.387500      0.3937000    
 H   -1.386800      -1.022200       1.358400    
 H    5.404000      0.2217000       1.666400    
 H    6.324900      0.2167000      0.1553000    
 H    4.004000       2.155900      0.9167000    
 H    3.312200       2.117400     -0.7111000    
 H    1.621200       1.211800     -0.3048000    
 H    1.896000     -0.1713000      -1.408100    
 H   -2.139300      -2.303700      -1.340300    
 H   -2.643500      -2.883900      0.2614000    
 H    6.517600      -1.955300      0.9771000    
 H    5.387000      -2.080200     -0.3714000    
 H    4.806100      -2.134300       1.314700    
 H    5.184700       3.451800     -0.9232000    
 H    5.612000       1.924600      -1.697400    
 H    6.251300       2.339000     -8.5699998E-02
 H   -2.518100      0.9410000       2.107500    
 H   -3.653600     -0.9402000      -1.614900    
 H   -4.598300       2.275700       2.038200    
 H   -5.706600      0.3730000      -1.651400    
 H   -6.195700       1.994000      0.1612000    
 H  -0.3923000      -3.089200      0.7235000    


%chk=000113866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113866

0 1
O 0.607406 -0.628860 0.310109
O -1.255633 -3.664680 -0.227179
O -0.436867 -0.660027 -1.771481
N 4.165146 0.549310 0.199190
C 2.894806 0.039342 0.771285
C -1.718801 -1.247214 0.265553
C 5.376000 0.047702 0.901366
C 4.158950 2.026498 0.011440
C 1.884927 -0.216850 -0.353164
C -2.816459 -0.178210 0.237198
C -0.484606 -0.821850 -0.530918
C -2.252354 -2.592241 -0.308540
C 5.692469 -1.423360 0.571704
C 5.097950 2.494363 -1.116638
C -3.422947 0.239318 1.448685
C -3.278094 0.369646 -0.988137
C -4.472984 1.185356 1.440842
C -4.326842 1.315603 -0.995096
C -4.929754 1.725603 0.216977
H 2.450579 0.739592 1.517389
H 3.083860 -0.911376 1.299722
H -1.400797 -1.406436 1.312430
H 5.288940 0.178223 2.010085
H 6.230537 0.670383 0.580337
H 4.414782 2.557051 0.963677
H 3.126183 2.329925 -0.243644
H 1.692252 0.683826 -0.962736
H 2.220033 -1.026598 -1.023219
H -2.462127 -2.483538 -1.384435
H -3.189236 -2.862699 0.220808
H 6.608998 -1.749200 1.098259
H 5.844290 -1.544085 -0.514832
H 4.873727 -2.100234 0.877229
H 5.038560 3.592189 -1.237769
H 4.813681 2.015876 -2.069779
H 6.152731 2.238298 -0.909252
H -3.069158 -0.173053 2.401960
H -2.798402 0.070041 -1.926407
H -4.930057 1.500813 2.385553
H -4.672096 1.734752 -1.946956
H -5.743320 2.459581 0.208067
H -1.053669 -3.851181 0.724615


