%chk=000135893.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135893

0 1
 O    7.201200     -0.7184000      0.3775000    
 N   -3.858800     -0.4889000      0.2177000    
 N   -8.739600      -1.039300      0.1867000    
 C   -1.321500     -0.1696000      0.2139000    
 C  -0.5019000       1.021200     -0.3308000    
 C   0.9738000      0.9385000      5.9099998E-02
 C   -2.719800      0.2550000     -0.2960000    
 C    1.579000     -0.3623000     -0.5507000    
 C  -0.7631000      -1.456500     -0.4067000    
 C   -1.318300       2.243900      8.5100003E-02
 C   -2.782700       1.763100      3.0500000E-02
 C   0.7484000      -1.610800     -0.1492000    
 C    1.780100       2.141000     -0.4356000    
 C   -1.304700     -0.2945000       1.760300    
 C    3.075400     -0.4617000     -0.2665000    
 C    3.204300       2.067800      0.1066000    
 C    3.833300      0.7000000     -5.0000002E-04
 C   -5.107700      1.7500000E-02 -0.3374000    
 C    3.751800      -1.691800     -0.3491000    
 C    5.217300      0.5969000      0.2255000    
 C   -6.302500     -0.7712000      0.1946000    
 C    5.128500      -1.778700     -0.1308000    
 C    5.860900     -0.6355000      0.1613000    
 C   -7.633300     -0.2654000     -0.3655000    
 H  -0.5377000      0.9958000      -1.433000    
 H    1.063300      0.9093000       1.152600    
 H   -2.720300      0.1506000      -1.391900    
 H    1.503400     -0.2818000      -1.646300    
 H  -0.9293000      -1.450500      -1.491900    
 H   -1.292400      -2.335400     -1.9600000E-02
 H   -1.154300       3.089900     -0.5903000    
 H   -1.062000       2.574100       1.097900    
 H   -3.262100       1.961000      0.9968000    
 H   -3.342900       2.311600     -0.7351000    
 H   0.9261000      -1.851000      0.9059000    
 H    1.081100      -2.485600     -0.7198000    
 H    1.326800       3.084200     -0.1115000    
 H    1.798400       2.156100      -1.533000    
 H  -0.3014000     -0.4604000       2.161000    
 H   -1.701600      0.5949000       2.259100    
 H   -1.916700      -1.144600       2.083600    
 H   -3.753700      -1.477600     -6.6999998E-03
 H    3.197500       2.352000       1.166800    
 H    3.819700       2.802500     -0.4266000    
 H   -5.260800       1.069000     -7.0600003E-02
 H   -5.092500     -5.1899999E-02  -1.432100    
 H    3.223700      -2.608800     -0.5924000    
 H    5.789900       1.494300      0.4518000    
 H   -6.320900     -0.7074000       1.290900    
 H   -6.180700      -1.832800     -5.9500001E-02
 H    5.621300      -2.745200     -0.1952000    
 H   -7.639500     -0.3481000      -1.457700    
 H   -7.772300      0.7902000     -0.1089000    
 H    7.546600      0.1714000      0.5650000    
 H   -8.634800      -2.019900     -7.0600003E-02
 H   -9.613600     -0.7257000     -0.2334000    


%chk=000135893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135893

0 1
O 7.260953 -1.016214 0.307374
N -3.887693 -0.304794 0.218248
N -8.730684 -1.431023 0.174350
C -1.347244 -0.033276 0.191913
C -0.467597 1.147448 -0.331211
C 1.010723 1.012727 0.070570
C -2.738240 0.430516 -0.348543
C 1.567311 -0.312518 -0.540592
C -0.804716 -1.347559 -0.421794
C -1.269676 2.414984 0.064887
C -2.770431 1.963005 -0.026021
C 0.708801 -1.543650 -0.126389
C 1.889609 2.193381 -0.394214
C -1.380291 -0.130501 1.740305
C 3.071667 -0.476974 -0.266003
C 3.312951 2.056523 0.182935
C 3.891779 0.650610 0.034326
C -5.199668 0.034517 -0.377891
C 3.700588 -1.748187 -0.361749
C 5.285044 0.477546 0.226469
C -6.316511 -0.853087 0.203368
C 5.083674 -1.924274 -0.169688
C 5.880237 -0.797757 0.127166
C -7.700812 -0.542707 -0.401647
H -0.499017 1.082691 -1.445027
H 1.085066 0.956180 1.178110
H -2.703267 0.316977 -1.466721
H 1.445959 -0.204387 -1.644951
H -0.956590 -1.318307 -1.522160
H -1.361895 -2.228308 -0.040784
H -1.052375 3.268830 -0.601515
H -1.015304 2.735533 1.093166
H -3.295634 2.113619 0.934919
H -3.320452 2.530790 -0.797843
H 0.868213 -1.754527 0.949030
H 1.050198 -2.442793 -0.673268
H 1.449577 3.155615 -0.070420
H 1.925311 2.207607 -1.503335
H -0.398452 -0.411299 2.158743
H -1.686638 0.821888 2.206113
H -2.118055 -0.888885 2.054979
H -3.727575 -1.322998 0.173193
H 3.284993 2.314126 1.262856
H 3.994735 2.790462 -0.289433
H -5.420571 1.095649 -0.150730
H -5.195143 -0.057095 -1.496612
H 3.099876 -2.632935 -0.595628
H 5.905587 1.356741 0.454467
H -6.363538 -0.725270 1.299546
H -6.070103 -1.921504 0.013151
H 5.554215 -2.908721 -0.247005
H -7.625497 -0.598923 -1.517126
H -7.974827 0.501493 -0.154316
H 7.723890 -0.166215 0.511912
H -8.549811 -2.428075 0.018118
H -9.694247 -1.176196 -0.062298


