%chk=000003156.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003156

0 1
 O   -3.379600      -1.223900       1.071700    
 O    6.323900      0.3031000     -0.4428000    
 N   -1.253400      -1.922800       1.737500    
 N    3.689900      0.6692000      0.5723000    
 C   9.8999999E-03 -0.1145000       1.049700    
 C   -1.353200     -4.1999999E-02  0.2550000    
 C   0.1182000      -1.569700       1.487800    
 C    1.280100      0.3535000      0.3491000    
 C   -2.161100      -1.101700       1.066600    
 C   -1.178500     -0.4809000      -1.221100    
 C   -2.093600       1.313700      0.3446000    
 C    2.489100      0.1986000       1.259600    
 C   -1.599600      -3.103900       2.499300    
 C   -1.061500      0.4796000      -2.226700    
 C   -3.378900       1.436700     -0.1767000    
 C   -1.138300      -1.837500      -1.546800    
 C   -1.470900       2.404500      0.9457000    
 C    3.943600     -0.1251000     -0.6378000    
 C    4.856700      0.6145000       1.464000    
 C   -1.589700      -4.346000       1.632500    
 C    5.207700      0.3756000      -1.330700    
 C    6.098700       1.098900      0.7214000    
 C  -0.9044000      8.4500000E-02  -3.555300    
 C   -4.046100       2.659000     -9.6199997E-02
 C  -0.9810000      -2.232500      -2.875300    
 C   -2.138200       3.626700       1.026500    
 C  -0.8641000      -1.271600      -3.879600    
 C   -3.425900       3.753900      0.5056000    
 H  -9.6199997E-02  0.4482000       1.988900    
 H   0.5360000      -2.233600      0.7253000    
 H   0.6893000      -1.677000       2.415600    
 H    1.178600       1.395900      2.6699999E-02
 H    1.389600     -0.2553000     -0.5510000    
 H    2.327800      0.7968000       2.165200    
 H    2.624400     -0.8428000       1.573900    
 H  -0.9023000      -3.202900       3.337500    
 H   -2.605700      -2.965900       2.910300    
 H   -1.055000       1.544300      -2.014500    
 H   -3.878800      0.6036000     -0.6627000    
 H   -1.232800      -2.623100     -0.8079000    
 H  -0.4680000       2.373900       1.352300    
 H    4.058400      -1.187100     -0.3854000    
 H    3.148400     -2.7799999E-02  -1.380700    
 H    5.020000     -0.4127000       1.815100    
 H    4.696200       1.252100       2.340800    
 H   -1.856900      -5.226000       2.225600    
 H  -0.6003000      -4.517000       1.195800    
 H   -2.307700      -4.259500      0.8104000    
 H    5.092500       1.405800      -1.689800    
 H    5.432500     -0.2537000      -2.198000    
 H    6.978900       1.003000       1.365200    
 H    6.012400       2.153600      0.4330000    
 H  -0.8059000      0.8324000      -4.336700    
 H   -5.047200       2.759300     -0.5051000    
 H  -0.9511000      -3.288300      -3.128600    
 H   -1.654300       4.481000       1.491000    
 H  -0.7401000      -1.579200      -4.913700    
 H   -3.944800       4.706000      0.5668000    


%chk=000003156-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003156

0 1
O -3.537260 -1.237902 1.034442
O 6.489537 0.828901 -0.411763
N -1.439751 -2.028522 1.730955
N 3.725790 0.634549 0.487057
C 0.004677 -0.286625 1.027055
C -1.380059 -0.116259 0.283095
C -0.008883 -1.758485 1.521635
C 1.274601 0.083852 0.235919
C -2.276752 -1.158522 1.047429
C -1.270006 -0.546994 -1.205560
C -1.983917 1.296211 0.398626
C 2.542999 -0.004939 1.112252
C -1.942825 -3.167407 2.511234
C -0.961210 0.416206 -2.202007
C -3.309973 1.513688 -0.065753
C -1.405809 -1.902373 -1.604683
C -1.266684 2.402807 0.919159
C 4.189374 -0.058908 -0.744353
C 4.851025 0.765734 1.450462
C -1.703496 -4.531853 1.827609
C 5.373674 0.700822 -1.363904
C 6.019601 1.521753 0.799413
C -0.788864 0.038139 -3.550925
C -3.900998 2.791839 0.004563
C -1.237853 -2.283085 -2.954963
C -1.855863 3.687516 0.984718
C -0.924610 -1.315700 -3.935577
C -3.176910 3.888276 0.529607
H -0.048146 0.346619 1.935327
H 0.428685 -2.442856 0.764280
H 0.553269 -1.889254 2.464923
H 1.198148 1.117522 -0.150464
H 1.358642 -0.579519 -0.644383
H 2.354413 0.526367 2.067434
H 2.750887 -1.077005 1.373662
H -1.463777 -3.153636 3.510393
H -3.025342 -2.995842 2.646477
H -0.871182 1.471007 -1.921142
H -3.878638 0.667537 -0.461506
H -1.666244 -2.667799 -0.864918
H -0.238233 2.285318 1.275577
H 4.502516 -1.111765 -0.522161
H 3.365140 -0.095189 -1.478982
H 5.214247 -0.235406 1.797892
H 4.498880 1.327147 2.337188
H -2.096090 -5.346032 2.463289
H -0.627861 -4.723046 1.659766
H -2.224094 -4.576948 0.854842
H 5.037558 1.710853 -1.683538
H 5.785781 0.155158 -2.228741
H 6.891701 1.565171 1.472703
H 5.695235 2.552473 0.538847
H -0.555521 0.801606 -4.301816
H -4.928423 2.932376 -0.349815
H -1.360103 -3.334116 -3.240859
H -1.278944 4.527645 1.388165
H -0.799137 -1.609665 -4.983666
H -3.635226 4.882458 0.580684


