%chk=000096898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096898

0 1
 O   -2.541700      -2.351900     -0.7066000    
 O   -2.511300       2.361900     -0.5562000    
 O   -5.342500     -6.4800002E-02   2.120500    
 N   -3.992200      -1.200100      0.6470000    
 N   -3.975200       1.144400      0.7234000    
 C    1.127500      9.2299998E-02  -1.099500    
 C  -0.3083000      6.8800002E-02 -0.5650000    
 C    2.185000      5.5500001E-02  6.8999999E-03
 C   -1.365800      2.9999999E-02  -1.669100    
 C    3.620100      1.8500000E-02 -0.5287000    
 C   -2.778100      2.1199999E-02  -1.087100    
 C    4.679800      7.6000001E-03  0.5752000    
 C    6.092400     -1.6600000E-02 -1.3100000E-02
 C    7.152300     -6.6200003E-02   1.087200    
 C   -3.055700      -1.285600     -0.3706000    
 C   -3.038200       1.282800     -0.2881000    
 C    8.557800     -5.6499999E-02  0.5076000    
 C   -4.506000     -4.1299999E-02   1.216100    
 H    1.271800      0.9922000      -1.709700    
 H    1.275400     -0.7685000      -1.763200    
 H  -0.4185000     -0.8071000      8.5400000E-02
 H  -0.4435000      0.9482000      7.4299999E-02
 H    2.061700      0.9349000      0.6509000    
 H    2.017400     -0.8257000      0.6384000    
 H   -1.205100     -0.8529000      -2.300100    
 H   -1.236100      0.9032000      -2.321000    
 H    3.781800      0.8900000      -1.175300    
 H    3.743900     -0.8707000      -1.159000    
 H   -3.490500      5.0799999E-02  -1.923700    
 H    4.530400     -0.8706000       1.215000    
 H    4.559200      0.8944000       1.209000    
 H    6.245900      0.8748000     -0.6334000    
 H    6.204300     -0.8892000     -0.6682000    
 H    7.034700      0.7940000       1.756500    
 H    7.018100     -0.9697000       1.693100    
 H   -4.287800      -2.077400       1.066100    
 H   -4.258600       1.996800       1.198600    
 H    9.299600     -9.3400002E-02   1.311600    
 H    8.735100      0.8521000     -7.6800004E-02
 H    8.719400     -0.9213000     -0.1438000    


%chk=000096898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096898

0 1
O -3.139120 -2.429083 -1.037001
O -3.141598 2.431242 -1.147501
O -4.230765 0.087469 2.720993
N -3.650529 -1.140189 0.817219
N -3.653291 1.227787 0.763005
C 1.048441 0.030336 -1.137818
C -0.404186 -0.011699 -0.612212
C 2.104761 -0.036343 -0.012035
C -1.432290 -0.011235 -1.764085
C 3.555943 0.046585 -0.536424
C -2.928643 -0.003197 -1.291748
C 4.617727 -0.060528 0.581197
C 6.068216 0.042186 0.058016
C 7.131948 -0.082679 1.172608
C -3.245784 -1.286302 -0.524074
C -3.247505 1.312960 -0.582898
C 8.577593 0.024081 0.640680
C -3.865938 0.060242 1.520366
H 1.196615 0.958918 -1.727048
H 1.208388 -0.814661 -1.839484
H -0.537041 -0.919387 0.011730
H -0.573090 0.862372 0.050068
H 1.928366 0.789354 0.708785
H 1.973841 -0.980191 0.557356
H -1.293209 -0.908971 -2.393883
H -1.288354 0.880568 -2.401392
H 3.693916 1.003109 -1.082690
H 3.724061 -0.761724 -1.278812
H -3.545740 -0.024074 -2.211092
H 4.489041 -1.024240 1.117260
H 4.442403 0.738076 1.332466
H 6.201898 1.011167 -0.467286
H 6.241592 -0.748630 -0.701961
H 6.957330 0.706105 1.932908
H 6.998961 -1.051995 1.695255
H -3.835450 -1.999684 1.345227
H -3.840421 2.110260 1.250753
H 9.318303 -0.062918 1.456852
H 8.742865 0.994911 0.136082
H 8.789246 -0.775098 -0.094784


