%chk=000029606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029606

0 1
 O    2.926900      0.2238000     -0.1630000    
 O    2.254900      -1.961400     -0.2202000    
 O   -4.091100     -3.5000001E-03  2.7300000E-02
 N    6.588100      0.6457000     -0.2311000    
 N   0.7219000     -0.1953000     -0.1161000    
 C    7.032200      0.2027000       1.097900    
 C    7.413700       1.757000     -0.7240000    
 C    8.492300     -0.2521000       1.068700    
 C    8.886200       1.353300     -0.8127000    
 C    9.403500      0.8438000      0.5277000    
 C    5.177900       1.032200     -0.1967000    
 C    4.283700     -0.1973000     -0.2148000    
 C    1.977100     -0.7694000     -0.1713000    
 C  -0.5330000     -0.8457000     -0.1040000    
 C   -1.706800     -9.4499998E-02 -4.4500001E-02
 C   -2.945500     -0.7360000     -3.1800002E-02
 C  -0.5977000      -2.238400     -0.1510000    
 C   -5.322600     -0.7239000      3.7900001E-02
 C   -6.461000      0.2529000      7.3399998E-02
 C   -3.010100      -2.128600     -7.8800000E-02
 C   -1.836100      -2.879700     -0.1383000    
 C   -6.968500      0.6884000       1.297600    
 C   -7.011900      0.7258000      -1.117800    
 C   -8.026600       1.596600       1.330700    
 C   -8.070000       1.634000      -1.084600    
 C   -8.577300       2.069500      0.1397000    
 H    6.916700       1.007200       1.836400    
 H    6.438100     -0.6466000       1.450300    
 H    7.084400       2.050600      -1.728300    
 H    7.310000       2.637100     -7.5599998E-02
 H    8.585900      -1.148200      0.4419000    
 H    8.813000     -0.5334000       2.078200    
 H    9.486200       2.210500      -1.138600    
 H    9.007500      0.5707000      -1.572500    
 H    9.443300       1.673500       1.244100    
 H    10.42490      0.4637000      0.4173000    
 H    4.943400       1.676200      0.6612000    
 H    4.919300       1.626300      -1.084100    
 H    4.450600     -0.7716000      -1.134500    
 H    4.473100     -0.8453000      0.6468000    
 H   0.6934000      0.8208000     -7.9800002E-02
 H   -1.664300      0.9916000     -7.4000000E-03
 H   0.2674000      -2.885000     -0.1981000    
 H   -5.425200      -1.338000     -0.8667000    
 H   -5.387700      -1.370600      0.9230000    
 H   -3.934900      -2.694900     -6.9700003E-02
 H   -1.886700      -3.964300     -0.1741000    
 H   -6.546600      0.3294000       2.232500    
 H   -6.624000      0.3964000      -2.078100    
 H   -8.421300       1.936200       2.283800    
 H   -8.498600       2.002900      -2.012000    
 H   -9.401000       2.776900      0.1655000    


%chk=000029606-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029606

0 1
O 2.869282 0.100324 -0.203942
O 2.317051 -2.190036 -0.250269
O -4.093469 -0.174598 -0.034094
N 6.549221 0.765175 -0.127891
N 0.685412 -0.463861 -0.168336
C 7.047754 0.387570 1.220238
C 7.361757 1.858022 -0.720853
C 8.515819 -0.080640 1.158443
C 8.839318 1.434786 -0.847817
C 9.409365 1.010408 0.525166
C 5.093781 1.041820 -0.145164
C 4.308345 -0.270194 -0.269501
C 1.968789 -0.984367 -0.211671
C -0.545355 -1.176069 -0.158850
C -1.731762 -0.407449 -0.102438
C -2.991932 -1.047064 -0.092450
C -0.613737 -2.596160 -0.205106
C -5.444524 -0.793052 -0.015540
C -6.461757 0.320275 0.067165
C -3.079873 -2.461317 -0.139513
C -1.881326 -3.209153 -0.194679
C -6.879514 0.819356 1.326140
C -7.005420 0.886152 -1.112831
C -7.823001 1.867609 1.405861
C -7.949529 1.934438 -1.037703
C -8.360859 2.426638 0.222933
H 6.967959 1.255309 1.929199
H 6.412003 -0.421545 1.623997
H 6.949369 2.095913 -1.719042
H 7.301747 2.792772 -0.101334
H 8.569306 -1.004166 0.550551
H 8.865565 -0.328489 2.179146
H 9.426304 2.271472 -1.273407
H 8.903641 0.584243 -1.553719
H 9.444347 1.892949 1.197716
H 10.448512 0.646191 0.417323
H 4.749103 1.595122 0.761925
H 4.859112 1.676274 -1.019220
H 4.516027 -0.770069 -1.231154
H 4.532891 -0.978377 0.547475
H 0.637806 0.556874 -0.140707
H -1.704785 0.687472 -0.065577
H 0.303728 -3.184811 -0.247939
H -5.578407 -1.390699 -0.939727
H -5.516488 -1.468651 0.860762
H -4.043575 -2.976924 -0.134649
H -1.939791 -4.302815 -0.230973
H -6.459315 0.389201 2.243290
H -6.683366 0.507894 -2.090613
H -8.139324 2.245911 2.384233
H -8.363925 2.364502 -1.956235
H -9.095181 3.237833 0.283078


