%chk=000014725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014725

0 1
 O   -2.168500     -0.8950000       1.985400    
 O    2.170100     -0.8272000       1.997500    
 O  -2.8400000E-02   1.605200      -1.337300    
 N   -1.216900      0.5106000      0.3495000    
 N    1.184800      0.5469000      0.3551000    
 C   2.9300001E-02  -2.335000     -1.8700000E-02
 C    1.333600      -3.142200     -6.6900000E-02
 C   -1.189900      -3.266800     -9.2000002E-03
 C   1.1600000E-02  -1.410800       1.197500    
 C    1.352500      -4.113000      -1.245400    
 C   -1.166900      -4.237600      -1.187600    
 C   0.1347000      -5.031700      -1.237300    
 C   -1.248400     -0.5867000       1.228200    
 C    1.245100     -0.5482000       1.234900    
 C  -2.1299999E-02  0.9733000     -0.2740000    
 C   -2.456800       1.191200      4.0700000E-02
 C    2.405300       1.263800      5.0900001E-02
 C   -3.651400      0.4809000      4.9800001E-02
 C    3.620300      0.5892000      6.5800004E-02
 C   -2.439600       2.547900     -0.2609000    
 C    2.349000       2.618800     -0.2534000    
 C   -4.846100       1.136600     -0.2473000    
 C    4.796400       1.279600     -0.2276000    
 C   -3.634500       3.203600     -0.5579000    
 C    3.525100       3.309100     -0.5468000    
 C   -4.837700       2.497800     -0.5510000    
 C    4.748800       2.639500     -0.5339000    
 H  -2.1299999E-02  -1.738800     -0.9405000    
 H    1.461800      -3.705200      0.8664000    
 H    2.202800      -2.484200     -0.1679000    
 H   -2.122100      -2.694300     -6.3900001E-02
 H   -1.218700      -3.837900      0.9276000    
 H   1.9900000E-02  -2.010600       2.118800    
 H    2.267700      -4.714900      -1.212400    
 H    1.376300      -3.546600      -2.184600    
 H   -1.289600      -3.678500      -2.123500    
 H   -2.015900      -4.926600      -1.114100    
 H   0.1456000      -5.666800      -2.130200    
 H   0.1877000      -5.699800     -0.3689000    
 H   -3.701000     -0.5887000      0.2257000    
 H    3.701800     -0.4776000      0.2448000    
 H   -1.532000       3.143100     -0.2309000    
 H    1.424200       3.187100     -0.2280000    
 H   -5.781900      0.5851000     -0.2541000    
 H    5.748100      0.7561000     -0.2294000    
 H   -3.629900       4.265800     -0.7845000    
 H    3.489900       4.370400     -0.7753000    
 H   -5.767900       3.008300     -0.7828000    
 H    5.664400       3.177000     -0.7628000    


%chk=000014725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014725

0 1
O -2.276949 -0.813833 1.821287
O 2.342596 -0.739328 1.794087
O -0.030955 2.051995 -1.129759
N -1.213634 0.591082 0.274597
N 1.212217 0.639521 0.271975
C 0.049476 -2.401173 0.053755
C 1.334391 -3.268354 0.111903
C -1.210990 -3.302628 0.120376
C 0.038501 -1.327822 1.227519
C 1.343277 -4.341399 -1.004351
C -1.198493 -4.375865 -0.995489
C 0.084487 -5.235178 -0.942579
C -1.241616 -0.510916 1.179292
C 1.289521 -0.467913 1.166801
C -0.011934 1.139376 -0.271759
C -2.470902 1.248950 -0.071068
C 2.439045 1.355815 -0.066996
C -3.462249 0.519627 -0.761291
C 3.461770 0.680037 -0.765660
C -2.689851 2.592461 0.299581
C 2.598136 2.702741 0.321619
C -4.687221 1.143084 -1.082081
C 4.658126 1.361230 -1.077063
C -3.913649 3.213166 -0.030720
C 3.793451 3.381113 0.000928
C -4.914935 2.490601 -0.719752
C 4.825873 2.712553 -0.696612
H 0.038864 -1.850108 -0.912177
H 1.385433 -3.765498 1.102241
H 2.240099 -2.639312 0.035097
H -2.134139 -2.698850 0.048517
H -1.242743 -3.800028 1.111356
H 0.052847 -1.876628 2.184018
H 2.259585 -4.956046 -0.916089
H 1.387992 -3.841846 -1.994759
H -1.263514 -3.877910 -1.985581
H -2.097039 -5.015333 -0.901009
H 0.091528 -5.966273 -1.773629
H 0.095625 -5.818783 0.000944
H -3.279730 -0.523796 -1.038649
H 3.325670 -0.366888 -1.055996
H -1.911320 3.147922 0.831944
H 1.795664 3.216048 0.860817
H -5.459771 0.578533 -1.614924
H 5.455231 0.838459 -1.616289
H -4.084763 4.257360 0.251661
H 3.918283 4.428002 0.297273
H -5.865056 2.973703 -0.972232
H 5.753870 3.240533 -0.941474


