%chk=000085930.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085930

0 1
 O   -2.016500      -1.241200       1.130000    
 O    2.974300      0.5480000       2.079500    
 N   -3.376800      0.3990000      0.1189000    
 N   -3.111800       1.692500     -0.2541000    
 N    3.259700     -7.8400001E-02 -0.2012000    
 N    2.447200     -0.2059000      -1.325600    
 C   -1.193700      0.9830000      0.6639000    
 C   -1.828200       2.024100      0.1007000    
 C    1.187900      0.4802000      0.4571000    
 C   -2.213900     -0.1198000      0.6909000    
 C   0.1276000      0.8626000       1.184700    
 C    1.237400      0.1174000     -0.9591000    
 C   -4.574600     -0.2675000     -4.2100001E-02
 C    2.572100      0.3413000      0.9509000    
 C   -1.329300       3.406400     -0.1366000    
 C    4.620600     -0.3411000     -0.2169000    
 C   5.3900000E-02  0.1157000      -1.864600    
 C   -4.713500      -1.596000      0.3853000    
 C   -5.672100      0.3725000     -0.6360000    
 C    5.263300     -0.8076000      0.9352000    
 C    5.365200     -0.1421000      -1.385000    
 C   -5.923900      -2.269900      0.2223000    
 C   -6.882500     -0.3012000     -0.7988000    
 C   -7.008500      -1.622400     -0.3696000    
 C    6.632900      -1.071700      0.9195000    
 C    6.734700     -0.4065000      -1.400900    
 C    7.368600     -0.8713000     -0.2485000    
 H   0.2443000       1.072400       2.244300    
 H   -3.834600       2.394900     -0.3336000    
 H   -1.952000       4.133800      0.3941000    
 H   -1.357000       3.643000      -1.205200    
 H  -0.2983000       3.535100      0.2072000    
 H  -0.3373000       1.125300      -1.994800    
 H  -0.7103000     -0.5785000      -1.513700    
 H   0.3703000     -0.2335000      -2.853700    
 H   -3.929300      -2.172800      0.8544000    
 H   -5.613100       1.398800     -0.9875000    
 H    4.726500      -1.021300       1.854000    
 H    4.895200      0.2257000      -2.293800    
 H   -6.023800      -3.298600      0.5563000    
 H   -7.726900      0.2021000      -1.260700    
 H   -7.950900      -2.147100     -0.4965000    
 H    7.125200      -1.443300       1.813500    
 H    7.307900     -0.2494000      -2.309900    
 H    8.434600      -1.079000     -0.2614000    


%chk=000085930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085930

0 1
O -2.537765 -1.763275 1.313773
O 2.686043 -0.600328 1.984401
N -3.644380 0.093008 0.274361
N -3.201296 1.288311 -0.330290
N 3.498794 -0.019143 -0.206853
N 2.923229 0.321780 -1.467227
C -1.332289 0.196559 0.349364
C -1.821733 1.381429 -0.226799
C 1.214103 0.038152 0.072151
C -2.493048 -0.639784 0.739710
C 0.013103 -0.171636 0.719965
C 1.594869 0.382223 -1.303859
C -5.014335 -0.289782 0.217693
C 2.507941 -0.253133 0.779946
C -1.141757 2.679918 -0.548723
C 4.919229 -0.121983 -0.107941
C 0.721492 0.603179 -2.508463
C -5.491771 -1.309936 1.083434
C -5.900032 0.353556 -0.687352
C 5.532363 -0.491110 1.119447
C 5.716432 0.153329 -1.249816
C -6.854917 -1.665598 1.039116
C -7.263969 -0.008379 -0.705269
C -7.750607 -1.015971 0.157575
C 6.939008 -0.579260 1.188673
C 7.120053 0.059133 -1.158561
C 7.742513 -0.306547 0.058010
H 0.096958 -0.712277 1.677552
H -3.835432 2.091082 -0.306667
H -1.576517 3.509733 0.040990
H -1.237879 2.943525 -1.617406
H -0.071326 2.616491 -0.303708
H 0.334081 1.635628 -2.564712
H -0.145543 -0.080860 -2.496664
H 1.311242 0.417641 -3.421017
H -4.795197 -1.814090 1.756492
H -5.529862 1.093052 -1.405860
H 4.911418 -0.704364 1.992067
H 5.226664 0.431945 -2.185383
H -7.218475 -2.455380 1.705203
H -7.941709 0.489081 -1.407529
H -8.808657 -1.296496 0.137279
H 7.406511 -0.865378 2.137625
H 7.729399 0.272177 -2.044276
H 8.833650 -0.378521 0.122449


