%chk=000053756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053756

0 1
 O    1.469600       1.760100       1.863500    
 O   -2.508000       1.269900     -0.6403000    
 N    2.647500      3.0000001E-04  0.1314000    
 N  -7.4500002E-02   2.436400      0.2720000    
 C    3.546600     -0.6304000     -0.8624000    
 C    4.284500      -1.828800     -0.2321000    
 C    3.316800      -2.845800      0.3590000    
 C    1.673100     -0.9709000      0.6597000    
 C    2.361500      -2.161000       1.323900    
 C    1.927600       1.154300     -0.4149000    
 C    4.598900      0.3438000      -1.411000    
 C    1.104000       1.802600      0.6855000    
 C  -0.4914000       2.477200      -1.124400    
 C  -0.9749000       3.104500       1.208900    
 C   -1.361900       1.286300      -1.481500    
 C   -3.043600      4.2399999E-02 -0.3498000    
 C   -2.931200     -0.9928000      -1.270900    
 C   -3.694700     -0.1548000      0.8625000    
 C   -3.477400      -2.242000     -0.9757000    
 C   -4.240700      -1.403900       1.157800    
 C   -4.132000      -2.447500      0.2386000    
 H    2.954300     -0.9996000      -1.711400    
 H    4.906000      -2.326200     -0.9867000    
 H    4.963900      -1.477000      0.5559000    
 H    2.747800      -3.324100     -0.4475000    
 H    3.871300      -3.636700      0.8758000    
 H    1.011600     -0.5438000       1.419200    
 H    1.023700      -1.336100     -0.1481000    
 H    2.911700      -1.822000       2.210800    
 H    1.609400      -2.879500       1.668900    
 H    1.341100      0.8209000      -1.270000    
 H    2.618000       1.935400     -0.7500000    
 H    5.331900     -0.1862000      -2.029800    
 H    4.149200       1.111900      -2.047700    
 H    5.144000      0.8409000     -0.6008000    
 H   -1.062100       3.402300      -1.273700    
 H   0.3712000       2.549700      -1.792700    
 H   -1.134100       4.136500      0.8830000    
 H   -1.929000       2.580800       1.266600    
 H  -0.5374000       3.123000       2.211000    
 H   -1.686100       1.371500      -2.524900    
 H  -0.7697000      0.3716000      -1.365000    
 H   -2.457500     -0.8667000      -2.239500    
 H   -3.782000      0.6551000       1.581200    
 H   -3.399200      -3.053000      -1.694000    
 H   -4.750800      -1.563900       2.103200    
 H   -4.558700      -3.419600      0.4679000    


%chk=000053756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053756

0 1
O 1.651717 1.260327 2.099645
O -2.831026 1.061231 -0.326033
N 3.145298 -0.217138 0.173518
N -0.002829 1.852551 0.575774
C 3.998027 -0.646754 -0.982700
C 5.315656 -1.261683 -0.445106
C 5.068414 -2.427388 0.533208
C 2.847027 -1.352196 1.092527
C 4.135195 -1.963211 1.670243
C 1.920449 0.481227 -0.240046
C 4.332298 0.520789 -1.936896
C 1.196371 1.215735 0.917642
C -0.584565 1.857830 -0.777727
C -0.746803 2.583686 1.623880
C -1.597316 0.734157 -1.055883
C -3.922682 0.180682 -0.454896
C -3.904688 -1.006318 -1.228409
C -5.089675 0.557184 0.254915
C -5.067848 -1.810247 -1.284273
C -6.238713 -0.254593 0.188446
C -6.236145 -1.444020 -0.581908
H 3.465280 -1.447537 -1.568493
H 5.921675 -1.603514 -1.306830
H 5.882739 -0.459240 0.067161
H 4.595755 -3.272651 -0.009614
H 6.028603 -2.800452 0.938029
H 2.220213 -0.963957 1.910260
H 2.270083 -2.152147 0.551781
H 4.642570 -1.195658 2.284597
H 3.872368 -2.808196 2.335602
H 1.186915 -0.209976 -0.741440
H 2.190282 1.246723 -0.990032
H 5.147818 0.216225 -2.617593
H 3.482352 0.828231 -2.572365
H 4.677838 1.396146 -1.356577
H -1.099378 2.825094 -0.931207
H 0.213208 1.796299 -1.537687
H -0.758236 3.669086 1.404574
H -1.785500 2.216957 1.676696
H -0.233823 2.417189 2.582850
H -1.811549 0.684451 -2.144873
H -1.201706 -0.245564 -0.719405
H -3.010868 -1.313141 -1.779677
H -5.073698 1.479304 0.844252
H -5.053368 -2.728549 -1.882247
H -7.138496 0.041117 0.739214
H -7.130939 -2.072989 -0.631396


