%chk=000052269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052269

0 1
 O    3.772800      0.5904000      4.0600002E-02
 O   -4.752600      0.4678000       2.343000    
 O   -4.259900      -2.894600      -1.986700    
 O    3.568700       2.698300     -0.8620000    
 N    7.248600     -0.4959000      0.6098000    
 N   -2.517800      0.7023000     -0.2335000    
 N   -7.366900     -0.4314000     -3.6400001E-02
 C    5.787900     -0.5676000      0.6060000    
 C    7.805000      -1.454400       1.564000    
 C    7.776000     -0.7450000     -0.7312000    
 C    5.189300      0.7108000      4.1299999E-02
 C   -4.578800     -0.4872000      0.1558000    
 C   -3.079300     -0.5159000      0.2628000    
 C    7.454300      -2.881100       1.176700    
 C    9.289400     -0.6142000     -0.7592000    
 C   -5.208800     -0.9534000     -0.9928000    
 C   -5.341300      6.6999998E-03   1.208400    
 C   -1.128600      0.9407000     -0.2836000    
 C   -6.719400      1.2900000E-02   1.064000    
 C    1.619300       1.411100     -0.3851000    
 C   -4.442600      -1.492900      -2.150500    
 C   -6.592800     -0.9042000      -1.038700    
 C  -0.6462000       2.151800     -0.7799000    
 C  -0.2371000     -3.5200000E-02  0.1618000    
 C    3.081800       1.661100     -0.4394000    
 C   0.7277000       2.387000     -0.8305000    
 C    1.136800      0.1999000      0.1110000    
 C   -7.585500      0.5323000       2.164500    
 H    5.397700     -0.6789000       1.627100    
 H    5.401600      -1.427000      4.2399999E-02
 H    8.887900      -1.339900       1.679300    
 H    7.402900      -1.245200       2.563900    
 H    7.400900      2.3300000E-02  -1.416600    
 H    7.464000      -1.701700      -1.165200    
 H    5.480100       1.569000      0.6598000    
 H    5.516000      0.8898000     -0.9881000    
 H   -2.678800      -1.391900     -0.2606000    
 H   -2.798400     -0.6633000       1.313900    
 H    7.824300      -3.553700       1.960300    
 H    7.934600      -3.210700      0.2513000    
 H    6.378900      -3.066000       1.107000    
 H    9.794200      -1.468000     -0.2973000    
 H    9.634300     -0.5710000      -1.798500    
 H    9.625900      0.3051000     -0.2675000    
 H   -3.126000       1.443300     -0.5653000    
 H   -3.472100      -1.008200      -2.291200    
 H   -5.000800      -1.331500      -3.080400    
 H   -7.143600      -1.254600      -1.906200    
 H   -1.330600       2.920200      -1.130300    
 H  -0.5683000     -0.9906000      0.5571000    
 H    1.083300       3.337000      -1.220600    
 H    1.795100     -0.5868000      0.4683000    
 H   -7.366700       1.585600       2.367000    
 H   -8.643800      0.4658000       1.888800    
 H   -7.448600     -5.6200001E-02   3.077400    
 H   -5.412300      0.7780000       2.982200    
 H   -3.775800      -3.212000      -2.768000    


%chk=000052269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052269

0 1
O 3.812494 0.448520 0.167176
O -5.435414 0.552900 2.397016
O -3.473326 -2.576971 -1.457589
O 3.599329 2.594392 -0.725853
N 7.368193 -0.714509 0.310529
N -2.613118 0.840173 0.131131
N -7.492472 -0.459223 -0.529529
C 5.893199 -0.757133 0.456130
C 8.108981 -1.440379 1.371125
C 7.819803 -0.976556 -1.079584
C 5.290261 0.606272 0.089472
C -4.753266 -0.367660 0.275584
C -3.303425 -0.320943 0.728777
C 7.971908 -2.988648 1.370610
C 9.275554 -0.546823 -1.340022
C -5.120957 -0.853870 -1.010641
C -5.796502 0.063364 1.129401
C -1.230466 0.980433 0.064751
C -7.158897 0.005909 0.707091
C 1.602025 1.321416 -0.147746
C -4.082386 -1.335286 -1.998042
C -6.490611 -0.875241 -1.357153
C -0.672413 2.193325 -0.454770
C -0.336748 -0.054463 0.483832
C 3.057272 1.549573 -0.275917
C 0.713291 2.355800 -0.556660
C 1.052686 0.119983 0.373211
C -8.280961 0.457143 1.619674
H 5.637586 -0.985817 1.506927
H 5.416338 -1.547082 -0.170475
H 9.177897 -1.168308 1.294318
H 7.761322 -1.045386 2.344937
H 7.159112 -0.398437 -1.752626
H 7.690828 -2.051089 -1.367035
H 5.613581 1.389896 0.796582
H 5.566118 0.930122 -0.930257
H -2.813679 -1.247124 0.380073
H -3.255301 -0.287828 1.834335
H 8.533352 -3.421349 2.219701
H 8.371413 -3.434438 0.441401
H 6.914847 -3.297100 1.470833
H 9.999767 -1.164570 -0.778895
H 9.515591 -0.648744 -2.414373
H 9.418889 0.507791 -1.045654
H -3.178842 1.676368 -0.022693
H -3.299908 -0.560757 -2.134902
H -4.565730 -1.536247 -2.975514
H -6.807603 -1.249609 -2.337283
H -1.344141 2.998963 -0.777147
H -0.727804 -0.982355 0.910727
H 1.141420 3.282552 -0.953329
H 1.732235 -0.672841 0.699191
H -8.199301 1.529715 1.888240
H -9.236153 0.313837 1.092598
H -8.321895 -0.131643 2.558580
H -6.238406 0.790141 2.924008
H -2.729664 -2.850158 -2.054074


