%chk=000059299.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059299

0 1
 O    1.459800      -2.509200      0.8472000    
 O   -1.546400      -2.520200     -0.8404000    
 N    3.971800       2.350300     -0.1531000    
 N   -3.898400       2.421200      0.1481000    
 C  -4.4900000E-02  -4.185200     -4.8000002E-03
 C    1.184300      -3.332700     -0.2779000    
 C   -1.271900      -3.337800      0.2888000    
 C    3.335100       1.117600      0.1004000    
 C   -3.302300       1.167700     -0.1024000    
 C    2.078300      -1.311300      0.6000000    
 C   -2.125500      -1.302100     -0.5961000    
 C    2.469800      0.9906000       1.187100    
 C   -2.463000       1.002700      -1.204400    
 C    3.569700      2.6200000E-02 -0.7356000    
 C   -3.551000      9.3599997E-02  0.7518000    
 C    1.839200     -0.2281000       1.437800    
 C   -1.872600     -0.2365000      -1.452100    
 C    2.939100      -1.192500     -0.4851000    
 C   -2.960500      -1.145600      0.5042000    
 C    5.275300       2.386700     -0.7858000    
 C    3.324700       3.597500      0.2028000    
 C   -3.223300       3.644800     -0.2364000    
 C   -5.187300       2.502500      0.8059000    
 H  -0.2321000      -4.821600     -0.8774000    
 H   0.1432000      -4.837300      0.8561000    
 H    2.043700      -3.990200     -0.4540000    
 H    1.000600      -2.744600      -1.186300    
 H   -2.131500      -3.993600      0.4688000    
 H   -1.079200      -2.751400       1.196100    
 H    2.274300       1.817600       1.863800    
 H   -2.257700       1.815500      -1.895200    
 H    4.233100      9.3599997E-02  -1.593300    
 H   -4.194900      0.1902000       1.621400    
 H    1.167000     -0.3241000       2.285800    
 H   -1.220700     -0.3620000      -2.312000    
 H    3.169900      -2.024300      -1.143600    
 H   -3.202800      -1.962900       1.176500    
 H    5.184700       2.256000      -1.869200    
 H    5.938100       1.611600     -0.3846000    
 H    5.772600       3.347200     -0.6102000    
 H    3.438700       3.802300       1.272400    
 H    2.257900       3.581700     -4.8000000E-02
 H    3.763800       4.440500     -0.3423000    
 H   -2.152600       3.601400     -6.6999998E-03
 H   -3.627100       4.506600      0.3068000    
 H   -3.353100       3.839900      -1.306000    
 H   -5.078600       2.382400       1.888900    
 H   -5.879800       1.742000      0.4277000    
 H   -5.660600       3.474800      0.6281000    


%chk=000059299-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059299

0 1
O 1.692076 -1.741306 0.753195
O -1.717728 -1.707070 -0.745607
N 6.131321 1.792051 0.396892
N -6.087633 1.913369 -0.405495
C -0.029719 -3.252958 0.007622
C 1.172983 -2.421219 -0.444968
C -1.214381 -2.393468 0.455624
C 5.034522 0.914528 0.455055
C -5.007490 1.015185 -0.459988
C 2.795494 -0.876685 0.579774
C -2.803818 -0.819989 -0.576393
C 4.357987 0.651523 1.690047
C -4.335476 0.734290 -1.693515
C 4.548542 0.249876 -0.710851
C -4.534864 0.346093 0.708862
C 3.262397 -0.226756 1.746243
C -3.257247 -0.165538 -1.745658
C 3.447368 -0.632170 -0.651306
C -3.451175 -0.557574 0.653390
C 6.795555 2.042978 -0.883590
C 6.589943 2.470975 1.611061
C -6.533460 2.596475 -1.622103
C -6.747697 2.180565 0.873838
H -0.352309 -3.902989 -0.827534
H 0.279109 -3.904986 0.846406
H 1.962153 -3.072309 -0.875402
H 0.862599 -1.674263 -1.202555
H -2.017877 -3.025649 0.887781
H -0.888820 -1.650380 1.210656
H 4.686806 1.134003 2.614754
H -4.654276 1.219554 -2.620271
H 5.025508 0.417008 -1.680773
H -5.008654 0.526697 1.677926
H 2.752461 -0.420710 2.695591
H -2.750766 -0.373167 -2.693961
H 3.110950 -1.115274 -1.573795
H -3.124530 -1.043234 1.578042
H 6.106605 2.492289 -1.630376
H 7.209015 1.111786 -1.325404
H 7.632756 2.743484 -0.733071
H 6.921581 1.752236 2.389967
H 5.797085 3.108144 2.057131
H 7.445731 3.120935 1.367366
H -5.729651 3.218995 -2.069284
H -7.378387 3.261472 -1.381103
H -6.876524 1.881197 -2.399237
H -6.051596 2.621774 1.618855
H -7.176009 1.257936 1.319416
H -7.573558 2.893775 0.720345


