%chk=000137390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137390

0 1
 O  -2.8700000E-02 -0.2442000      0.3302000    
 O   -1.737400     -0.8764000       1.755000    
 O    2.626600      -2.505700     -0.2685000    
 O    2.698500       1.776600       1.443000    
 N    2.263200     -0.4241000      0.7511000    
 C   -3.653400      0.4000000      1.9000000E-03
 C   -4.845600     -4.2900000E-02 -0.8148000    
 C   -2.682600       1.446000     -0.4624000    
 C   -6.062200     -0.6809000     -0.2117000    
 C   -2.258700      1.5500000E-02 -0.3748000    
 C   -6.147500      0.7021000     -0.7878000    
 C   -2.851700       2.023700      -1.826100    
 C   -2.186300       2.426300      0.5457000    
 C   -6.740400      -1.780900     -0.9523000    
 C   -6.112800     -0.8207000       1.270300    
 C   -1.327700     -0.4218000      0.6965000    
 C   0.9407000     -0.6386000       1.303800    
 C    2.952800      -1.370800      3.4400001E-02
 C    2.985600      0.7361000      0.8766000    
 C    4.231600     -0.7448000     -0.3258000    
 C    4.249000      0.4968000      0.1657000    
 C    5.325600      -1.357200      -1.120100    
 C    5.379600       1.448000      2.4100000E-02
 C    6.336900     -0.2929000      -1.578600    
 C    6.645000      0.7306000     -0.4755000    
 H   -3.853900      0.4463000       1.071700    
 H   -4.572700     -0.4276000      -1.799200    
 H   -2.131500     -0.5274000      -1.307200    
 H   -6.240600       1.545600     -0.1134000    
 H   -6.662500      0.8458000      -1.730900    
 H   -1.928100       2.516400      -2.149900    
 H   -3.094800       1.272700      -2.585300    
 H   -3.651200       2.772500      -1.829700    
 H   -2.167400       2.024800       1.564700    
 H   -1.169700       2.750500      0.2979000    
 H   -2.828000       3.314200      0.5637000    
 H   -6.292000      -2.747500     -0.6990000    
 H   -7.804500      -1.821300     -0.6965000    
 H   -6.667400      -1.658100      -2.038700    
 H   -5.399500      -1.578900       1.610900    
 H   -5.900800      0.1143000       1.799700    
 H   -7.111400      -1.136900       1.592900    
 H   0.8174000      -1.701500       1.537800    
 H   0.8253000     -2.3700001E-02   2.202700    
 H    5.836600      -2.106000     -0.5036000    
 H    4.923100      -1.874400      -1.998000    
 H    5.097700       2.231800     -0.6889000    
 H    5.595700       1.936900      0.9804000    
 H    7.262100     -0.7830000      -1.902400    
 H    5.935700      0.2362000      -2.452800    
 H    7.364100       1.471200     -0.8435000    
 H    7.125000      0.2136000      0.3656000    


%chk=000137390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137390

0 1
O -0.106846 0.627616 0.610530
O -1.652475 0.944569 2.329244
O 1.873437 -2.331131 0.712334
O 3.077310 2.210997 0.933009
N 2.140982 0.019112 1.015380
C -3.846636 0.976268 0.195756
C -4.654575 0.229594 -0.826543
C -3.340006 2.407309 0.013517
C -5.043600 -1.258963 -0.656875
C -2.321142 1.206374 -0.020200
C -6.118393 -0.164691 -0.521573
C -3.543534 3.128268 -1.318875
C -3.357734 3.339812 1.222500
C -5.066237 -2.114959 -1.923275
C -4.613110 -2.026241 0.593112
C -1.393924 0.933839 1.096767
C 0.902177 0.315053 1.674584
C 2.528108 -1.275447 0.542336
C 3.126716 0.990971 0.648714
C 3.845187 -1.084227 -0.154700
C 4.193443 0.237963 -0.094285
C 4.660072 -2.156166 -0.819114
C 5.456157 0.818799 -0.662139
C 5.754028 -1.510444 -1.712975
C 6.453976 -0.321138 -1.003014
H -4.081308 0.731084 1.239926
H -4.461650 0.528439 -1.864718
H -1.912712 0.969445 -1.006869
H -6.499266 0.057246 0.481663
H -6.862774 -0.054606 -1.317133
H -2.797539 3.936352 -1.433855
H -3.445302 2.455808 -2.188669
H -4.550205 3.586413 -1.357001
H -3.160627 2.798049 2.162332
H -2.594557 4.134325 1.118606
H -4.347386 3.828897 1.300879
H -4.065723 -2.541005 -2.130662
H -5.776579 -2.957356 -1.815296
H -5.374375 -1.526302 -2.807409
H -3.577135 -2.401765 0.490139
H -4.656010 -1.408641 1.506950
H -5.275139 -2.899167 0.750606
H 0.554356 -0.560276 2.246829
H 1.016684 1.196330 2.326174
H 5.123433 -2.800136 -0.043483
H 4.003806 -2.825759 -1.406824
H 5.213290 1.406847 -1.571123
H 5.898491 1.541823 0.049101
H 6.501197 -2.274361 -1.995516
H 5.289998 -1.148216 -2.651648
H 7.265966 0.074022 -1.640437
H 6.924484 -0.684325 -0.067874


