%chk=000040263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040263

0 1
 O   -1.858000      -1.763900     -4.8099998E-02
 O   -5.079400       1.782800     -0.6436000    
 O   -4.396200      -1.034700     -0.9010000    
 O  -0.8924000       2.780800       1.168300    
 O   9.5399998E-02 -0.7136000       1.918500    
 O    7.084900       2.556000      -1.500100    
 N   8.0200002E-02  -3.842900     -4.2300001E-02
 C    1.456600      -3.488300     -0.3872000    
 C   0.1416000      -5.244700      0.3709000    
 C    2.264700      -4.138200      0.7261000    
 C    1.402000      -5.294800       1.221800    
 C  -0.8422000      -3.629400      -1.147700    
 C   -1.220400      -2.160800      -1.255100    
 C   -2.252900     -0.4545000      4.0399998E-02
 C   -1.377600      0.5039000      0.5576000    
 C   -3.535500     -0.1062000     -0.3935000    
 C   -3.884000       1.238500     -0.2801000    
 C   -3.042300       2.222200      0.2287000    
 C   -1.756900       1.849500      0.6590000    
 C  -4.5400001E-02  0.1013000      0.9977000    
 C   -3.781200       3.432900      0.1655000    
 C   -5.007000       3.111500     -0.3701000    
 C    1.145900      0.7219000      0.3292000    
 C   -4.847500     -0.8350000      -2.238300    
 C  -0.9408000       3.000100       2.573700    
 C    2.388000      0.4020000      0.7208000    
 C    3.618600      0.9664000      0.1390000    
 C    3.568200       2.167000     -0.5692000    
 C    4.833900      0.2999000      0.2964000    
 C    4.733000       2.701200      -1.120100    
 C    5.998600      0.8341000     -0.2544000    
 C    5.948300       2.034800     -0.9626000    
 H    1.620700      -2.407900     -0.4158000    
 H    1.758600      -3.911600      -1.353800    
 H  -0.7416000      -5.546900      0.9425000    
 H   0.2483000      -5.916100     -0.4910000    
 H    3.239300      -4.483600      0.3666000    
 H    2.439700      -3.429100       1.543900    
 H    1.162600      -5.150400       2.281900    
 H    1.916100      -6.256000       1.121300    
 H   -1.766200      -4.188800     -0.9497000    
 H  -0.4412000      -3.997100      -2.100000    
 H   -1.916200      -2.033400      -2.093000    
 H  -0.3412000      -1.536600      -1.451700    
 H   -3.460200       4.418300      0.4724000    
 H   -5.891000       3.685000     -0.6074000    
 H   0.9402000       1.407900     -0.4844000    
 H   -5.717000     -0.1718000      -2.248900    
 H   -4.053200     -0.4310000      -2.875300    
 H   -5.152000      -1.805000      -2.641600    
 H   -1.919000       3.393900       2.867100    
 H  -0.7305000       2.076300       3.121700    
 H  -0.1768000       3.738600       2.831600    
 H    2.542300     -0.3180000       1.521000    
 H    2.649100       2.730600     -0.6993000    
 H    4.891200     -0.6378000      0.8439000    
 H    4.688900       3.639200      -1.667100    
 H    6.939000      0.3051000     -0.1252000    
 H    7.830000       1.965500      -1.294800    


%chk=000040263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040263

0 1
O -2.289957 -1.978509 1.169241
O -4.306492 1.127397 -2.134654
O -4.253229 -1.628821 -0.804490
O -0.560731 2.556748 0.385651
O -0.449376 -0.527000 2.874402
O 7.711953 0.787865 0.561559
N 0.106746 -2.652447 -0.634981
C -0.331871 -2.608603 -2.053176
C 1.573847 -2.894338 -0.679103
C 0.772533 -1.761220 -2.726962
C 2.070084 -2.095553 -1.917688
C -0.616396 -3.576478 0.253105
C -2.105058 -3.247293 0.418183
C -2.349703 -0.780235 0.454071
C -1.390130 0.244434 0.762539
C -3.382041 -0.566849 -0.509585
C -3.399212 0.693811 -1.140078
C -2.494177 1.742466 -0.827892
C -1.484227 1.512282 0.135479
C -0.248703 -0.060015 1.709233
C -2.861354 2.872647 -1.664946
C -3.936407 2.473047 -2.425776
C 1.114303 0.217407 1.185985
C -5.688433 -1.292494 -0.933720
C -0.643792 3.172622 1.729120
C 2.227394 -0.017108 1.952555
C 3.627004 0.198164 1.578841
C 4.027537 0.780489 0.336109
C 4.653380 -0.181423 2.491360
C 5.380860 0.967853 0.019338
C 6.016305 -0.002717 2.186404
C 6.379787 0.572700 0.944300
H -1.332763 -2.154560 -2.151564
H -0.371897 -3.634961 -2.504490
H 2.042759 -2.564685 0.265065
H 1.797075 -3.984355 -0.810954
H 0.869088 -1.991295 -3.802386
H 0.525165 -0.689865 -2.628831
H 2.593944 -1.173633 -1.612999
H 2.780353 -2.696636 -2.512128
H -0.140585 -3.539019 1.250639
H -0.548488 -4.640326 -0.110718
H -2.577514 -4.013099 1.056530
H -2.644763 -3.204583 -0.542812
H -2.368434 3.841288 -1.691866
H -4.542784 2.955491 -3.187238
H 1.177761 0.605254 0.164652
H -6.052367 -0.802517 -0.011508
H -5.865197 -0.638216 -1.803993
H -6.193964 -2.260098 -1.070925
H -1.629541 3.657112 1.865458
H -0.480869 2.427374 2.528235
H 0.157222 3.926922 1.753583
H 2.041455 -0.417016 2.961178
H 3.266418 1.105363 -0.381305
H 4.371813 -0.625286 3.453617
H 5.690240 1.417577 -0.928607
H 6.787385 -0.305819 2.906502
H 8.338145 0.489854 1.267541


