%chk=000051875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051875

0 1
 O    3.686200       1.813900     -0.2668000    
 O   -3.567000      -1.435900      0.7978000    
 O    3.454000     -0.2907000      0.6868000    
 O   -3.335100      0.6686000     -0.1556000    
 N    9.187700       1.247600      0.3151000    
 N    10.01590      0.7680000     -0.6231000    
 N   -9.057100     -0.8780000      0.2119000    
 N   -9.322400      0.2291000     -0.3128000    
 N    1.617400      0.9701000      7.9999998E-04
 N   -1.498700     -0.5904000      0.5334000    
 C    7.792600       1.391900      0.1670000    
 C    10.87540     -0.3304000     -0.4594000    
 C    7.166600      0.9588000      -1.001800    
 C    7.038500       1.966700       1.190100    
 C    5.069500       1.671000     -0.1203000    
 C    5.786500       1.100400      -1.147400    
 C    5.658500       2.108100       1.044500    
 C    11.74900     -0.6995000      -1.486600    
 C    10.86300      -1.062500      0.7316000    
 C    12.60240      -1.790700      -1.324100    
 C    11.71660      -2.153600      0.8942000    
 C    12.58650      -2.517700     -0.1337000    
 C   -7.673400      -1.017800      0.3591000    
 C   -4.950300      -1.293800      0.6499000    
 C   -7.049300     -0.5838000       1.528600    
 C   -6.917600      -1.591900     -0.6630000    
 C   -5.669300     -0.7236000       1.676000    
 C   -5.537600      -1.731800     -0.5156000    
 C   -10.71290      0.3698000     -0.4612000    
 C   -11.46240      0.9425000      0.5618000    
 C   -11.33040     -6.7000002E-02  -1.629200    
 C   -12.84270       1.079800      0.4152000    
 C   -12.71070      7.0500001E-02  -1.775800    
 C   -13.46690      0.6439000     -0.7536000    
 C    2.955900      0.7181000      0.1951000    
 C   -2.837100     -0.3390000      0.3380000    
 C   0.7849000      6.1400000E-02  0.3685000    
 C  -0.6663000      0.3182000      0.1644000    
 H    9.605200       1.622100       1.160300    
 H    7.725900      0.5054000      -1.815700    
 H    7.514000       2.308000       2.106000    
 H    10.09650       1.295500      -1.485700    
 H    5.298800      0.7638000      -2.056900    
 H    5.071400       2.555900       1.840200    
 H    11.77200     -0.1422000      -2.419800    
 H    10.19580     -0.8056000       1.550300    
 H    13.27960      -2.074600      -2.124400    
 H    11.70390      -2.720200       1.820700    
 H    13.25100      -3.367400     -7.3000002E-03
 H   -7.629700     -0.1363000       2.331300    
 H   -7.394800      -1.934200      -1.577600    
 H   -5.183400     -0.3871000       2.586300    
 H   -4.949300      -2.179600      -1.310300    
 H   -10.98420       1.285100       1.475500    
 H   -10.74880     -0.5146000      -2.430700    
 H   -13.43160       1.526200       1.211200    
 H   -13.19670     -0.2690000      -2.685800    
 H   -14.54160      0.7509000     -0.8676000    
 H    1.046800     -0.9068000      0.8278000    
 H  -0.9282000       1.285500     -0.2966000    


%chk=000051875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051875

0 1
O 4.116072 0.449048 0.699408
O -3.737616 -0.736586 -0.033435
O 3.155107 -1.433559 1.755366
O -2.763330 0.503904 -1.804039
N 9.661789 -0.209743 1.550027
N 10.594836 0.658912 1.002769
N -9.278857 0.238037 -0.642728
N -10.069336 -0.301009 0.251823
N 1.871602 0.211713 0.562280
N -1.480054 -0.729253 -0.226870
C 8.279286 -0.068815 1.333998
C 11.297542 0.363264 -0.190499
C 7.753942 0.998252 0.551921
C 7.384120 -1.003997 1.925407
C 5.490174 0.177462 0.966108
C 6.366717 1.115663 0.373263
C 5.992676 -0.892742 1.747358
C 12.397914 1.183945 -0.563318
C 10.919003 -0.723906 -1.022522
C 13.102852 0.917862 -1.754639
C 11.638622 -0.978434 -2.209895
C 12.732174 -0.165322 -2.587059
C -7.888710 -0.035523 -0.444678
C -5.109723 -0.432803 -0.263512
C -7.014713 0.527407 -1.409394
C -7.350090 -0.811162 0.624446
C -5.619889 0.337200 -1.336230
C -5.966019 -1.005900 0.711936
C -11.462694 -0.025265 0.059592
C -12.330035 -0.613163 1.018155
C -11.999464 0.771838 -0.992324
C -13.723231 -0.410291 0.930789
C -13.390103 0.969450 -1.071503
C -14.256619 0.381227 -0.113585
C 3.066500 -0.385342 1.066668
C -2.673650 -0.211797 -0.778574
C 0.828291 -0.571541 0.390359
C -0.429186 0.034174 -0.050333
H 10.007311 -1.049141 2.024980
H 8.438978 1.712549 0.087853
H 7.777803 -1.825535 2.536434
H 10.937176 1.408696 1.607500
H 5.942154 1.925718 -0.226928
H 5.313685 -1.612837 2.205228
H 12.696676 2.023608 0.077503
H 10.064682 -1.349769 -0.746636
H 13.948327 1.557839 -2.031711
H 11.336908 -1.817669 -2.846994
H 13.284098 -0.369308 -3.510166
H -7.452438 1.116089 -2.221930
H -8.034151 -1.241496 1.361217
H -4.952769 0.766427 -2.083771
H -5.518330 -1.594275 1.518311
H -11.886813 -1.219969 1.814717
H -11.312570 1.215332 -1.719508
H -14.390041 -0.865224 1.671090
H -13.808703 1.581872 -1.878134
H -15.338419 0.540864 -0.183704
H 0.838861 -1.663474 0.558203
H -0.425827 1.127599 -0.209089


