%chk=000113751.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113751

0 1
 O  -0.5880000       4.732400      0.5026000    
 O   -2.329400       2.538200      0.4013000    
 O   -3.802800      -1.202800      -2.149600    
 N    1.875300       2.089000     -0.3312000    
 N    3.840400      5.0099999E-02  4.4000000E-02
 C    3.153100       2.148200      -1.051500    
 C    2.075200       1.483600      0.9911000    
 C    3.740400      0.7481000      -1.244000    
 C    2.627600      6.1299998E-02  0.8674000    
 C    1.297300       3.426000     -0.2012000    
 C  -8.6400002E-02   3.393600      0.4520000    
 C    4.737800      -1.019000      0.1445000    
 C   -1.091400       2.526200     -0.3026000    
 C    6.115500     -0.8350000     -8.7600000E-02
 C    4.290500      -2.312600      0.4801000    
 C    7.009600      -1.901100      1.1600000E-02
 C    5.184400      -3.378700      0.5793000    
 C    6.543900      -3.173000      0.3451000    
 C   -3.114700       1.422500      0.2843000    
 C   -3.065700      0.6639000     -0.8805000    
 C   -3.954300       1.057800       1.331500    
 C   -3.865600     -0.4725000     -0.9995000    
 C   -4.710000     -0.8437000      4.6900000E-02
 C   -4.754200     -7.8599997E-02   1.212300    
 C   -5.555500      -2.025900     -5.2600000E-02
 C   -5.933600      -2.815800      0.9762000    
 C   -2.843200      -2.255900      -2.195200    
 C   -6.796400      -4.026500      0.8256000    
 H    3.005600       2.595400      -2.042100    
 H    3.874000       2.777700     -0.5123000    
 H    2.758500       2.092400       1.598500    
 H    1.136900       1.390300       1.545600    
 H    3.106700      0.1627000      -1.922800    
 H    4.719600      0.8523000      -1.725300    
 H    2.842500     -0.3098000       1.877400    
 H    1.867500     -0.5922000      0.4202000    
 H    1.954400       4.097200      0.3688000    
 H    1.195600       3.885600      -1.193800    
 H  -3.1500001E-02   3.080200       1.499100    
 H  -0.6909000       1.508700     -0.3798000    
 H   -1.262900       2.937000      -1.304700    
 H    6.503700      0.1502000     -0.3364000    
 H    3.236900      -2.514100      0.6569000    
 H   -1.473500       4.697400      0.9034000    
 H    8.068600      -1.740500     -0.1679000    
 H    4.821900      -4.369700      0.8362000    
 H    7.240000      -4.003100      0.4224000    
 H   -2.442700      0.9412000      -1.726000    
 H   -3.994200       1.653400       2.239200    
 H   -5.412400     -0.3251000       2.041400    
 H   -5.895800      -2.284700      -1.052800    
 H   -5.596800      -2.607400       1.988000    
 H   -3.023200      -2.984800      -1.398900    
 H   -2.937200      -2.763000      -3.159400    
 H   -1.829200      -1.852200      -2.110600    
 H   -6.258800      -4.912900       1.175600    
 H   -7.703800      -3.914000       1.426600    
 H   -7.094200      -4.196100     -0.2139000    


%chk=000113751-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113751

0 1
O -0.731784 4.096752 0.834996
O -2.121830 1.647499 1.014350
O -4.108085 -1.662439 -2.017869
N 2.126592 1.832990 -0.012263
N 4.558027 0.247900 0.021232
C 3.070644 1.858075 -1.158010
C 2.885587 1.611895 1.244567
C 3.838188 0.529578 -1.241768
C 3.670985 0.288127 1.198101
C 1.264353 3.039297 0.038133
C -0.039243 2.800905 0.820501
C 5.689372 -0.608562 0.018987
C -0.913606 1.728823 0.166430
C 6.636645 -0.564177 -1.050737
C 5.951500 -1.510771 1.095155
C 7.785179 -1.378450 -1.037215
C 7.112512 -2.313651 1.102063
C 8.041037 -2.260943 0.039449
C -3.151525 0.778191 0.616426
C -3.094009 -0.049672 -0.527272
C -4.304241 0.766215 1.442163
C -4.196424 -0.875925 -0.836226
C -5.377209 -0.905014 -0.038280
C -5.390625 -0.057404 1.108924
C -6.522226 -1.744665 -0.440208
C -7.588963 -2.091660 0.336941
C -3.725433 -3.067847 -1.779755
C -8.757706 -2.922446 -0.136891
H 2.494060 2.001535 -2.090410
H 3.804744 2.698081 -1.068017
H 3.603491 2.450985 1.428635
H 2.183210 1.575056 2.096390
H 3.111623 -0.287469 -1.458649
H 4.549425 0.577274 -2.080045
H 4.281324 0.222984 2.115124
H 2.952415 -0.565062 1.196708
H 1.779086 3.918522 0.493389
H 0.993241 3.325105 -0.995483
H 0.177052 2.481680 1.862613
H -0.385538 0.757350 0.139462
H -1.200752 2.035580 -0.859776
H 6.495957 0.132232 -1.883563
H 5.242145 -1.610318 1.921920
H -1.639204 3.940160 1.205407
H 8.494411 -1.311988 -1.870727
H 7.281527 -2.996049 1.943543
H 8.937970 -2.888719 0.047152
H -2.229575 -0.071560 -1.196119
H -4.332391 1.418461 2.320172
H -6.288365 -0.023636 1.735772
H -6.490317 -2.102706 -1.478765
H -7.625992 -1.763799 1.387185
H -4.452874 -3.574279 -1.116039
H -3.721390 -3.548272 -2.770313
H -2.715538 -3.126238 -1.328143
H -8.875666 -3.838641 0.475117
H -9.709384 -2.361063 -0.049699
H -8.637310 -3.225919 -1.191861


