%chk=000072288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072288

0 1
 O   -1.221200     -0.2644000     -0.6188000    
 O  -0.3210000       1.821500     -0.9615000    
 O   0.4336000      0.4959000       1.554200    
 N   -3.786400       1.051400      0.5876000    
 C   -3.034300       1.359000     -0.7183000    
 C   -4.744200     -0.1302000      0.4110000    
 C   -2.381600      0.1272000      -1.344200    
 C   -4.032700      -1.358100     -0.1394000    
 C   -3.334600      -1.055700      -1.458600    
 C   -2.827800      0.8153000       1.755000    
 C   -4.624800       2.289300      0.9454000    
 C  -0.2397000      0.6893000     -0.4920000    
 C   0.9526000      0.1808000      0.3741000    
 C    1.224500      -1.328900      0.2430000    
 C    2.254700      0.9653000      0.1162000    
 C    1.605100      -2.020000       1.364900    
 C    2.535100       1.348900      -1.169200    
 C    1.072700      -1.911600     -0.9893000    
 C    3.067000       1.240700       1.185100    
 C    1.851200      -3.387900       1.246200    
 C    3.712900       2.058800      -1.402700    
 C    1.318700      -3.279500      -1.107800    
 C    4.244700       1.950700      0.9515000    
 C    1.707900      -4.017500      1.0100000E-02
 C    4.567600       2.359700     -0.3424000    
 H   -2.389200       2.208000     -0.4962000    
 H   -3.799700       1.721200      -1.417800    
 H   -5.532000      0.1926000     -0.2805000    
 H   -5.197700     -0.3400000       1.386300    
 H   -2.053300      0.3810000      -2.361000    
 H   -4.768900      -2.154900     -0.2988000    
 H   -3.312900      -1.751600      0.5863000    
 H   -2.789100      -1.949400      -1.783800    
 H   -4.092700     -0.8384000      -2.221300    
 H   -3.421900      0.7314000       2.670700    
 H   -2.284200     -0.1146000       1.599500    
 H   -2.156500       1.674700       1.824800    
 H   -3.947100       3.136500       1.086900    
 H   -5.320600       2.488800      0.1250000    
 H   -5.175800       2.079200       1.867000    
 H    1.746300      -1.561700       2.338300    
 H    1.902600       1.101700      -2.014800    
 H   0.7966000      -1.353800      -1.877900    
 H    2.861900      0.9209000       2.201500    
 H    2.159100      -3.962100       2.115300    
 H    3.968200       2.371000      -2.411200    
 H    1.213300      -3.769000      -2.071700    
 H    4.913500       2.180500       1.776000    
 H    1.901900      -5.082100     -8.2800001E-02
 H    5.486100       2.910000     -0.5246000    


%chk=000072288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072288

0 1
O -1.325949 -0.075386 -1.348938
O -0.011768 1.706490 -2.120417
O -0.072727 1.157567 0.899776
N -3.451640 0.446017 0.852576
C -2.860331 1.417736 -0.202240
C -4.650392 -0.310515 0.256409
C -2.548407 0.743710 -1.546720
C -4.273439 -1.079386 -1.021006
C -3.678741 -0.139453 -2.092263
C -2.385248 -0.530470 1.382396
C -3.914314 1.291058 2.027563
C -0.116460 0.748645 -1.324316
C 0.739019 0.474308 -0.061220
C 0.922108 -1.026945 0.261422
C 2.137037 1.133299 -0.224637
C 1.124946 -1.389883 1.616331
C 3.100618 0.641908 -1.138588
C 0.925737 -2.043555 -0.724428
C 2.451430 2.254985 0.573994
C 1.337026 -2.737693 1.979172
C 4.362041 1.266624 -1.252600
C 1.130785 -3.396121 -0.364823
C 3.715824 2.878322 0.467691
C 1.340777 -3.749692 0.987944
C 4.676064 2.387062 -0.446931
H -1.899693 1.786662 0.233272
H -3.601772 2.227808 -0.329343
H -5.423463 0.450716 0.036802
H -5.026252 -0.985872 1.045535
H -2.306306 1.549115 -2.268201
H -5.192925 -1.561046 -1.402909
H -3.563897 -1.892291 -0.789888
H -3.287886 -0.724163 -2.942520
H -4.475699 0.522931 -2.487237
H -2.780289 -0.988855 2.304908
H -2.171573 -1.288852 0.619596
H -1.436683 0.055074 1.515154
H -3.035535 1.805124 2.445505
H -4.656037 2.029670 1.683676
H -4.362443 0.635468 2.791083
H 1.109426 -0.594202 2.370057
H 2.872336 -0.230612 -1.762533
H 0.748863 -1.783096 -1.775116
H 1.674791 2.609195 1.259472
H 1.505865 -3.001168 3.030452
H 5.100503 0.880937 -1.965806
H 1.127803 -4.172713 -1.139339
H 3.951411 3.748248 1.093134
H 1.506572 -4.797115 1.266496
H 5.656787 2.870307 -0.533098


