%chk=000057761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057761

0 1
 O    1.696100      -1.237300      0.6246000    
 O  -0.2681000       2.352800      0.7536000    
 O    1.718800      0.7624000       1.764500    
 N    5.312200     -0.9132000     -2.6000001E-02
 N   -4.372600      5.8100000E-02 -0.1398000    
 C    3.881400     -0.7761000     -0.2539000    
 C    6.056800      9.3599997E-02 -0.7864000    
 C    5.768100      -2.257900     -0.3866000    
 C    3.093900      -1.410500      0.8814000    
 C   -6.639900     -0.7423000     -0.5793000    
 C   -5.187500      -1.121700     -0.3032000    
 C   -3.022100      2.3900000E-02  0.1710000    
 C   -7.553300      -1.963400     -0.7137000    
 C  -0.3040000     -4.5100000E-02  0.7944000    
 C    5.859200     -9.0499997E-02  -2.281400    
 C    7.247300      -2.434500     -8.8100001E-02
 C  -0.9490000       1.179500      0.6217000    
 C   -2.308100       1.214100      0.3098000    
 C   -2.377100      -1.200700      0.3436000    
 C   -1.017900      -1.235300      0.6554000    
 C    1.114300     -0.1032000       1.120000    
 C   -9.002600      -1.552300     -0.9225000    
 C  -0.7238000       3.457000     -2.5100000E-02
 C   0.4647000       4.343600     -0.3638000    
 C    1.513400       3.598800      -1.170100    
 H    3.552600      -1.208000      -1.208400    
 H    3.595700      0.2836000     -0.2955000    
 H    7.122300      9.6199997E-02 -0.5335000    
 H    5.708300       1.094300     -0.4989000    
 H    5.545500      -2.543900      -1.420600    
 H    5.247200      -2.991900      0.2393000    
 H    3.372600     -0.9972000       1.858500    
 H    3.258900      -2.490700      0.9342000    
 H   -7.007100     -0.1018000      0.2333000    
 H   -6.693900     -0.1415000      -1.496200    
 H   -5.155100      -1.730900      0.6082000    
 H   -4.812800      -1.728000      -1.136600    
 H   -7.225000      -2.580800      -1.557700    
 H   -7.482800      -2.581600      0.1887000    
 H   -4.803100      0.9676000     -0.2665000    
 H    6.359500      0.7353000      -2.802100    
 H    4.812000     -5.1700000E-02  -2.593700    
 H    6.314000      -1.006000      -2.669500    
 H    7.506400      -3.498100     -0.1386000    
 H    7.502200      -2.086200      0.9188000    
 H    7.887200      -1.922000     -0.8127000    
 H   -2.846400       2.152000      0.2015000    
 H   -2.894300      -2.150500      0.2456000    
 H  -0.5476000      -2.204900      0.7968000    
 H   -9.369000     -0.9621000     -7.6499999E-02
 H   -9.637600      -2.438500      -1.018700    
 H   -9.113200     -0.9543000      -1.832700    
 H   -1.454100       4.029000      0.5583000    
 H   -1.182000       3.137900     -0.9704000    
 H   0.9302000       4.703900      0.5611000    
 H   0.1213000       5.218900     -0.9261000    
 H    2.333500       4.273800      -1.435100    
 H    1.088800       3.203100      -2.098300    
 H    1.939900       2.764500     -0.6045000    


%chk=000057761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057761

0 1
O 1.851976 -0.848066 0.862390
O -0.359605 2.749484 0.333742
O 2.053012 1.437129 0.431918
N 5.438891 -1.349885 -0.244132
N -4.362769 0.006313 -0.257864
C 4.002661 -1.017697 -0.398025
C 6.347566 -0.573134 -1.122400
C 5.689867 -2.810504 -0.184674
C 3.331501 -0.905899 0.987208
C -6.606524 -0.994368 -0.573010
C -5.111144 -1.255385 -0.307372
C -2.994776 0.099750 -0.039220
C -7.435382 -2.298190 -0.605492
C -0.159107 0.347601 0.390345
C 6.264332 -0.886786 -2.642517
C 7.085942 -3.171957 0.355754
C -0.987882 1.513796 0.233779
C -2.375492 1.383160 0.014912
C -2.183848 -1.062115 0.139173
C -0.805774 -0.918104 0.346665
C 1.309508 0.429929 0.551068
C -8.933768 -2.043277 -0.874174
C -1.134758 3.980592 0.091250
C -0.150712 5.144906 0.244084
C 1.038587 5.054069 -0.735586
H 3.451296 -1.773236 -1.005782
H 3.898555 -0.046436 -0.912581
H 7.385567 -0.728240 -0.773784
H 6.124021 0.497997 -0.959560
H 5.537056 -3.304035 -1.178698
H 4.928736 -3.245119 0.491356
H 3.698101 -0.008222 1.512855
H 3.515999 -1.805866 1.596093
H -7.008819 -0.325401 0.215956
H -6.721503 -0.461867 -1.539544
H -4.997594 -1.806830 0.650854
H -4.703904 -1.910611 -1.106956
H -7.027602 -2.971184 -1.386531
H -7.316457 -2.830096 0.359884
H -4.892376 0.870225 -0.374041
H 6.954762 -0.231449 -3.205954
H 5.242954 -0.715246 -3.029413
H 6.542001 -1.934564 -2.859823
H 7.171892 -4.266592 0.486048
H 7.254484 -2.686106 1.333253
H 7.892303 -2.855554 -0.330291
H -2.998979 2.275018 -0.106048
H -2.627033 -2.060780 0.108484
H -0.181151 -1.805457 0.475228
H -9.374498 -1.399678 -0.089740
H -9.504606 -2.989149 -0.894487
H -9.082768 -1.537902 -1.846825
H -1.961467 4.056076 0.828758
H -1.564209 3.948583 -0.932772
H 0.224928 5.153251 1.284618
H -0.713665 6.088106 0.091802
H 1.732033 5.902483 -0.592068
H 0.692963 5.072127 -1.787175
H 1.590980 4.113690 -0.569338


