%chk=000053482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053482

0 1
 O   -5.728700      -1.958600       1.352500    
 O   -3.079600      -1.847700     -0.9002000    
 O   -1.611100       2.850100     -7.2200000E-02
 O   0.3596000       3.951000      0.3279000    
 N    1.983300      5.2000001E-02  2.7000001E-03
 C   -5.283000      -1.980700     -5.5999998E-03
 C   -5.141000      -3.177900      0.8807000    
 C   -4.119600      -1.092000     -0.2833000    
 C   0.8019000     -0.6128000     -0.2374000    
 C  -0.2155000      0.3438000     -0.2362000    
 C    1.748300       1.392200      0.1555000    
 C   0.3963000       1.604000      1.3100000E-02
 C   -1.799800      -1.434600     -0.6792000    
 C   -1.541500     -7.6399997E-02 -0.4617000    
 C   0.5587000      -1.973900     -0.4533000    
 C    3.243000     -0.5528000      7.9999998E-02
 C  -0.7644000      -2.367000     -0.6746000    
 C    2.834700       2.362200      0.4254000    
 C  -0.2429000       2.887000      0.1065000    
 C    4.006000     -0.6854000      -1.070400    
 C    3.707100      -1.005600       1.305700    
 C    5.262900      -1.285300     -0.9931000    
 C    4.964100      -1.605400       1.382800    
 C    5.741900      -1.745200      0.2334000    
 C   -2.312500       4.096100      8.7000001E-03
 C   -3.768100       3.862800     -0.2077000    
 H   -6.017500      -2.008200     -0.7981000    
 H   -4.161600      -3.439000       1.259900    
 H   -5.802200      -4.018200      0.7139000    
 H   -3.787300     -0.6484000      0.6648000    
 H   -4.430900     -0.2883000     -0.9603000    
 H   -2.339700      0.6543000     -0.4996000    
 H    1.357700      -2.707800     -0.4519000    
 H  -0.9815000      -3.419000     -0.8452000    
 H    3.831400       1.919300      0.4893000    
 H    2.653600       2.876200       1.375700    
 H    2.872500       3.116400     -0.3680000    
 H    3.643900     -0.3302000      -2.031600    
 H    3.110700     -0.9016000       2.208300    
 H    5.868600      -1.394000      -1.888000    
 H    5.337400      -1.963400       2.337900    
 H    6.720700      -2.212100      0.2936000    
 H   -1.924200       4.777100     -0.7569000    
 H   -2.146800       4.537700      0.9976000    
 H   -4.167200       3.168600      0.5396000    
 H   -3.948500       3.405100      -1.186300    
 H   -4.332500       4.798000     -0.1512000    


%chk=000053482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053482

0 1
O -6.642476 -1.496379 0.011571
O -2.963292 -2.197343 -0.253505
O -1.636781 2.763603 0.018938
O 0.309905 4.046316 0.089781
N 2.144931 0.084177 -0.029663
C -5.349352 -2.190808 -0.348690
C -6.087852 -2.602692 0.884608
C -4.128814 -1.301724 -0.265508
C 0.933263 -0.654983 -0.079419
C -0.149333 0.279331 -0.074319
C 1.849901 1.454917 0.010632
C 0.443444 1.610367 -0.015310
C -1.689822 -1.589652 -0.199585
C -1.484931 -0.195996 -0.133144
C 0.725157 -2.048244 -0.162364
C 3.457092 -0.507906 0.002637
C -0.600627 -2.509726 -0.220821
C 2.920605 2.500646 0.113347
C -0.232803 2.906034 0.035344
C 4.410551 -0.189591 -0.994229
C 3.782507 -1.426125 1.031304
C 5.692530 -0.780226 -0.951806
C 5.062305 -2.021496 1.060202
C 6.021751 -1.698732 0.072115
C -2.408852 4.038441 0.070032
C -3.886914 3.662412 0.011606
H -5.413985 -2.828949 -1.238761
H -5.716986 -2.272272 1.862800
H -6.672939 -3.529606 0.878662
H -4.162634 -0.686273 0.656306
H -4.079364 -0.623622 -1.142129
H -2.301914 0.526155 -0.125343
H 1.560792 -2.753678 -0.189881
H -0.824975 -3.578424 -0.285688
H 3.749720 2.167011 0.762065
H 2.478922 3.428485 0.506199
H 3.351669 2.745607 -0.876499
H 4.141277 0.501470 -1.799250
H 3.041911 -1.653481 1.805069
H 6.428436 -0.531269 -1.723905
H 5.312156 -2.728494 1.858610
H 7.015309 -2.158775 0.099289
H -2.100098 4.671603 -0.781565
H -2.146226 4.570980 1.002308
H -4.165714 3.017945 0.863414
H -4.122945 3.127347 -0.924656
H -4.507802 4.576017 0.052699


