%chk=000060650.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060650

0 1
 O  -0.7070000      -2.974400     -0.9817000    
 N   -5.097900      0.3453000     -5.0999999E-02
 N    1.244300      -1.926200      0.8018000    
 N   -2.357300      -1.995800      0.3295000    
 N    2.083000      -2.971200      0.6972000    
 C   -3.856300      0.3986000     -0.8133000    
 C   -3.568600     -0.9229000      -1.531700    
 C   -3.441300      -2.130200     -0.6047000    
 C   -5.094500       1.352500       1.011500    
 C   -6.251800      0.5398000     -0.9308000    
 C    1.814400     -0.7280000      0.4859000    
 C  -0.1322000      -2.166400       1.224000    
 C    3.116700      -1.008600      0.1515000    
 C   -1.064100      -2.433900      6.1600000E-02
 C   -5.020900       2.756800      0.4365000    
 C   -7.555800      0.4208000     -0.1604000    
 C    1.095700      0.5263000      0.5294000    
 C    4.091600     -3.9200000E-02 -0.2501000    
 C    3.225300      -2.404400      0.2998000    
 C   0.4213000      0.9825000     -0.6033000    
 C    1.077300       1.280200       1.702900    
 C    5.261400      0.1226000      0.4925000    
 C    3.871300      0.7432000      -1.383800    
 C  -0.2712000       2.192600     -0.5625000    
 C   0.3845000       2.490300       1.743600    
 C    6.210600       1.067000      0.1015000    
 C    4.820800       1.687400      -1.774700    
 C  -0.2898000       2.946400      0.6108000    
 C    5.990400       1.849300      -1.031900    
 H   -3.005100      0.5983000     -0.1497000    
 H   -3.860200       1.204500      -1.558600    
 H   -4.340800      -1.129800      -2.281000    
 H   -2.631000     -0.8049000      -2.090900    
 H   -4.358200      -2.285200     -2.7100001E-02
 H   -3.277800      -3.030900      -1.207200    
 H   -5.957400       1.251400       1.677900    
 H   -4.227600       1.186000       1.664600    
 H   -6.226700       1.473300      -1.504100    
 H   -6.268000     -0.2633000      -1.677200    
 H  -0.1301000      -3.044900       1.879300    
 H  -0.4608000      -1.309000       1.818900    
 H   -2.559400      -1.558800       1.223900    
 H   -4.147200       2.925000     -0.1993000    
 H   -5.921800       3.049500     -0.1096000    
 H   -4.930300       3.467800       1.266900    
 H   -7.571100     -0.4717000      0.4748000    
 H   -7.761000       1.299400      0.4585000    
 H   -8.390400      0.3316000     -0.8650000    
 H    4.086700      -3.036400      0.1350000    
 H   0.4196000      0.4042000      -1.524100    
 H    1.597800      0.9383000       2.594400    
 H    5.449500     -0.4763000       1.380500    
 H    2.980500      0.6205000      -1.993700    
 H  -0.7994000       2.545800      -1.443300    
 H   0.3694000       3.077100       2.657300    
 H    7.121200       1.193500      0.6798000    
 H    4.652000       2.292900      -2.660400    
 H  -0.8308000       3.887500      0.6430000    
 H    6.730000       2.583700      -1.337100    


%chk=000060650-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060650

0 1
O -2.424255 2.750570 -2.937246
N -4.486731 -0.984439 0.351399
N -0.452657 1.881387 0.000940
N -2.799346 1.018609 -1.404286
N -1.097764 1.206558 1.038569
C -5.294546 0.181636 -0.090370
C -5.229490 0.428940 -1.619901
C -3.799115 0.291235 -2.199219
C -4.102600 -0.923381 1.788381
C -5.054827 -2.282741 -0.094325
C 0.903955 1.561739 -0.080481
C -1.237562 2.829174 -0.796714
C 1.151742 0.636597 0.971634
C -2.204047 2.179208 -1.822013
C -5.254046 -1.067453 2.820500
C -4.096677 -3.471489 0.108405
C 1.822038 2.175052 -1.065380
C 2.401355 -0.070343 1.327008
C -0.112533 0.462116 1.616532
C 1.498719 2.238157 -2.449738
C 3.063092 2.714820 -0.627009
C 2.687928 -0.361021 2.690510
C 3.321823 -0.513447 0.336612
C 2.393206 2.830653 -3.367755
C 3.956568 3.300236 -1.547520
C 3.854210 -1.068583 3.052724
C 4.491090 -1.214483 0.699776
C 3.624610 3.363081 -2.921883
C 4.764627 -1.497027 2.058855
H -4.886105 1.071453 0.425753
H -6.368676 0.103416 0.211670
H -5.890594 -0.272251 -2.166181
H -5.616751 1.446746 -1.817988
H -3.510262 -0.775024 -2.217872
H -3.763844 0.689228 -3.228091
H -3.348807 -1.711146 1.973823
H -3.582220 0.041148 1.944422
H -6.033786 -2.502775 0.402562
H -5.274303 -2.191613 -1.174708
H -1.832304 3.449603 -0.102770
H -0.559115 3.487820 -1.356502
H -2.578641 0.647738 -0.469416
H -6.007666 -0.267274 2.704175
H -5.769916 -2.040762 2.726023
H -4.849546 -1.000919 3.847744
H -3.111977 -3.250254 -0.341269
H -3.942618 -3.707540 1.176365
H -4.507474 -4.376680 -0.375115
H -0.357174 -0.199768 2.445675
H 0.559831 1.808087 -2.816154
H 3.318735 2.672925 0.436772
H 1.999602 -0.012312 3.469455
H 3.111354 -0.319359 -0.720140
H 2.126728 2.871896 -4.429290
H 4.907690 3.711936 -1.192438
H 4.056145 -1.278648 4.109246
H 5.184889 -1.549171 -0.079711
H 4.317567 3.821390 -3.636068
H 5.671976 -2.043751 2.338620


