%chk=000020395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020395

0 1
 O   -4.046700      0.9966000      -1.122600    
 O    1.014700       1.800600      0.3254000    
 O    2.406200      0.7532000       1.832800    
 N   -1.743300       2.277100     -9.0400003E-02
 C   -2.225300       1.012200      0.5057000    
 C   -2.947900      0.2231000     -0.6186000    
 C   -2.829600       3.059100     -0.6901000    
 C  -0.9401000       3.088300      0.8172000    
 C   -3.587900       2.214600      -1.709400    
 C   -3.107700       1.202400       1.753900    
 C   -3.411000      -1.157900     -0.1921000    
 C   0.2057000       2.272600       1.394700    
 C   -2.565800      -2.256000     -0.3501000    
 C   -4.681300      -1.328300      0.3579000    
 C    2.858100      0.6042000     -0.5664000    
 C   -2.991100      -3.525200      4.2100001E-02
 C   -5.106500      -2.597600      0.7501000    
 C    2.099800       1.041300      0.6831000    
 C    1.896600     -0.1411000      -1.514300    
 C   -4.261300      -3.696000      0.5921000    
 C    4.110300     -0.1828000     -0.2116000    
 C    2.533500     -0.4933000      -2.852900    
 C    5.297100      0.4977000     -2.7500000E-02
 C    4.023400      -1.554500     -8.3200000E-02
 C    6.445500     -0.2238000      0.2982000    
 C    5.171800      -2.276000      0.2426000    
 C    6.382800      -1.610600      0.4333000    
 H   -1.372800      0.3862000      0.7920000    
 H   -2.252400      7.2899997E-02  -1.458500    
 H   -3.521800       3.414900      8.2500003E-02
 H   -2.427600       3.941700      -1.201500    
 H   -1.537200       3.525600       1.625400    
 H  -0.5105000       3.921900      0.2468000    
 H   -4.465200       2.762700      -2.067800    
 H   -2.964700       1.985500      -2.582600    
 H   -3.324100      0.2398000       2.228000    
 H   -2.607600       1.801100       2.521000    
 H   -4.062700       1.683200       1.520300    
 H   0.8161000       2.941100       2.015400    
 H  -0.1214000       1.451600       2.040800    
 H   -1.572400      -2.135600     -0.7743000    
 H   -5.355600     -0.4873000      0.4940000    
 H    3.176200       1.528400      -1.070600    
 H   -2.332700      -4.380400     -7.9899997E-02
 H   -6.095200      -2.730700       1.179500    
 H    1.033400      0.5008000      -1.734600    
 H    1.467900      -1.036100      -1.049300    
 H   -4.592300      -4.684200      0.8980000    
 H    2.944400      0.3988000      -3.336800    
 H    1.778500     -0.9183000      -3.522600    
 H    3.334100      -1.230900      -2.754600    
 H    5.354900       1.577400     -0.1279000    
 H    3.096300      -2.103800     -0.1986000    
 H    7.388200      0.2943000      0.4478000    
 H    5.122400      -3.355300      0.3537000    
 H    7.276600      -2.172200      0.6885000    


%chk=000020395-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020395

0 1
O -3.361991 0.699627 -1.387684
O 1.418641 2.123266 0.903021
O 0.814453 -0.135660 0.902661
N -1.500671 2.187600 0.215776
C -2.204558 0.996834 0.788795
C -2.488279 0.031169 -0.401823
C -2.305150 2.881296 -0.816731
C -0.848954 3.080949 1.187155
C -2.678343 1.884599 -1.928918
C -3.484112 1.326982 1.599261
C -3.123706 -1.279757 0.024470
C 0.355129 2.436318 1.895507
C -2.335746 -2.216132 0.742701
C -4.474899 -1.584672 -0.264076
C 2.496636 0.704438 -0.712842
C -2.897611 -3.437260 1.175131
C -5.034764 -2.809621 0.166776
C 1.492466 0.810671 0.434168
C 1.744858 0.166054 -1.974959
C -4.250955 -3.738082 0.889808
C 3.696289 -0.167973 -0.326259
C 2.626051 0.179915 -3.239384
C 5.008221 0.363051 -0.396458
C 3.525009 -1.516905 0.081103
C 6.130308 -0.435162 -0.075594
C 4.644649 -2.314730 0.403086
C 5.951845 -1.779005 0.323869
H -1.479515 0.474276 1.437415
H -1.502847 -0.165997 -0.879411
H -3.234924 3.342439 -0.404789
H -1.696321 3.695340 -1.255198
H -1.536429 3.457605 1.988390
H -0.487631 3.970759 0.638011
H -3.384836 2.333058 -2.647588
H -1.755467 1.564257 -2.460342
H -3.828056 0.434552 2.150052
H -3.293726 2.125866 2.339901
H -4.306854 1.649760 0.937745
H 0.815933 3.158132 2.589848
H 0.087813 1.512873 2.437336
H -1.282812 -1.988589 0.954239
H -5.067887 -0.864401 -0.835074
H 2.854869 1.726761 -0.927359
H -2.280742 -4.155688 1.727245
H -6.081263 -3.040193 -0.064434
H 0.842002 0.788413 -2.136029
H 1.390445 -0.860452 -1.764238
H -4.686108 -4.687736 1.221800
H 2.962253 1.205802 -3.482073
H 2.063789 -0.205656 -4.109151
H 3.524408 -0.448850 -3.107658
H 5.152588 1.406315 -0.703396
H 2.513768 -1.930277 0.164288
H 7.138151 -0.008922 -0.136724
H 4.498059 -3.353874 0.719210
H 6.819320 -2.400386 0.573424


