%chk=000102998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102998

0 1
 O    3.122900     -0.3569000      0.8438000    
 O   -2.273800     -0.1364000      0.3431000    
 O    1.824300     -0.2002000      -1.063100    
 O  -0.5218000      0.7833000       1.501600    
 O    5.399100      -1.184600     -0.6994000    
 O    3.187700       2.512600      0.9398000    
 N  -0.2548000      -1.205900      0.3505000    
 N    4.047100      0.4862000      0.1890000    
 C    1.089800      -1.513500      0.8160000    
 C    1.294700      -2.980100      0.4530000    
 C   0.4087000      -3.170400     -0.7770000    
 C  -0.7854000      -2.273000     -0.4911000    
 C    2.030400     -0.6171000      6.8999998E-02
 C  -0.9803000     -0.1096000      0.7925000    
 C    5.824000       1.165100      -1.096500    
 C    5.090000       2.392400     -0.5521000    
 C    5.089200     -1.6500000E-02 -0.5231000    
 C    3.979700       1.838700      0.2994000    
 C   -3.101100      0.9597000      0.7486000    
 C   -4.474900      0.7752000      0.1741000    
 C   -4.775000       1.304200      -1.076300    
 C   -5.435500      7.6499999E-02  0.8971000    
 C   -6.052000       1.132500      -1.610600    
 C   -6.712400     -9.5200002E-02  0.3626000    
 C   -7.020600      0.4328000     -0.8912000    
 H    1.158200      -1.318400       1.891500    
 H   0.9266000      -3.618000       1.265700    
 H    2.338400      -3.242700      0.2555000    
 H   0.1215000      -4.213300     -0.9372000    
 H   0.9355000      -2.822700      -1.673500    
 H   -1.237900      -1.859300      -1.397100    
 H   -1.555900      -2.800900      8.1699997E-02
 H    5.785100       1.131000      -2.189100    
 H    6.867200       1.148300     -0.7675000    
 H    5.752300       3.012100      5.9300002E-02
 H    4.670000       2.996000      -1.362000    
 H   -3.150600       1.000500       1.843900    
 H   -2.665700       1.902500      0.3947000    
 H   -4.027400       1.849000      -1.646300    
 H   -5.205500     -0.3409000       1.873500    
 H   -6.292000       1.542900      -2.587000    
 H   -7.466600     -0.6406000      0.9222000    
 H   -8.014800      0.2988000      -1.307300    


%chk=000102998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102998

0 1
O 3.154958 -0.098934 0.904272
O -2.470166 -0.365606 0.639347
O 1.662830 0.326630 -0.890458
O -0.758738 0.675799 1.895070
O 4.660371 -1.256505 -1.236763
O 3.935220 2.716456 1.197404
N -0.350894 -1.220005 0.586216
N 4.137527 0.593594 0.142972
C 1.070617 -1.291368 0.937187
C 1.478997 -2.725123 0.467255
C 0.540510 -2.981327 -0.740623
C -0.789405 -2.293836 -0.344107
C 1.895869 -0.253553 0.170063
C -1.149583 -0.228211 1.107143
C 5.797136 0.975449 -1.477083
C 5.578974 2.270603 -0.648430
C 4.839386 -0.067471 -0.898206
C 4.462944 1.964559 0.359808
C -3.423566 0.669480 1.163467
C -4.676794 0.601039 0.326307
C -4.723769 1.229649 -0.943988
C -5.824309 -0.084491 0.796272
C -5.893670 1.170505 -1.731613
C -6.998703 -0.143113 0.012128
C -7.035401 0.484362 -1.254159
H 1.236436 -1.129810 2.014922
H 1.267382 -3.431772 1.289345
H 2.548141 -2.792107 0.210180
H 0.405109 -4.056016 -0.943085
H 0.956509 -2.510077 -1.648106
H -1.326535 -1.862724 -1.204676
H -1.479411 -2.984853 0.175644
H 5.557636 1.110169 -2.545650
H 6.828893 0.590188 -1.418331
H 6.479500 2.577896 -0.089907
H 5.267125 3.129149 -1.266039
H -3.619211 0.445794 2.227206
H -2.922010 1.651314 1.101856
H -3.839576 1.762642 -1.313297
H -5.796334 -0.573883 1.777367
H -5.918949 1.661071 -2.710857
H -7.880880 -0.673578 0.387107
H -7.945764 0.442116 -1.862459


