%chk=000084879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084879

0 1
 O   0.9972000       1.627600       1.057100    
 O   -1.590800       2.859300      0.4448000    
 O   -3.709800       1.804700      -1.393500    
 O    3.747800       2.241800      0.3615000    
 N  -0.7598000      -3.339500      0.3649000    
 C  -4.8799999E-02 -0.5662000      0.7368000    
 C  -0.9462000      -1.022200     -0.4512000    
 C  -0.2767000      0.9112000       1.121200    
 C  -0.4627000      -2.467400     -0.7961000    
 C   -1.374000       1.487500      0.1728000    
 C   -2.431600     -0.8515000     -1.3800000E-02
 C   -2.670100      0.6354000      0.4141000    
 C  -0.1403000      -1.516200       1.945900    
 C    1.338600     -0.4814000      0.2218000    
 C  -0.7997000     -2.0000000E-02  -1.610500    
 C    1.064000      -2.494700      -1.225700    
 C  -0.9743000       1.269900      -1.272800    
 C   1.3800000E-02  -2.994800       1.562100    
 C    1.923100      -1.393000     -0.6414000    
 C    1.891700      0.7488000      0.4976000    
 C   -3.846600       1.211600     -0.3246000    
 C  -0.6617000      -4.762700      5.7100002E-02
 C    3.226500      -1.121500      -1.056700    
 C    3.173900       1.043800      8.9100003E-02
 C    3.855900      7.9300001E-02 -0.6676000    
 C   -5.199600       1.024600      0.3068000    
 C  -0.4220000       3.636000      0.2062000    
 C    5.082300       2.449600     -0.1059000    
 H  -0.6161000       1.015900       2.160100    
 H   -1.056800      -2.830300      -1.646100    
 H   -2.692100      -1.506000      0.8251000    
 H   -3.101000      -1.141200     -0.8353000    
 H   -2.916000      0.6806000       1.483700    
 H   -1.110400      -1.384400       2.441700    
 H   0.6190000      -1.265200       2.698100    
 H  -0.5836000     -0.3340000      -2.623600    
 H    1.085800      -2.371300      -2.317200    
 H    1.528900      -3.463700      -1.019900    
 H  -0.9306000       2.058200      -2.013700    
 H    1.075900      -3.235400       1.430700    
 H  -0.3323000      -3.597800       2.411100    
 H   0.3649000      -5.090700     -0.1331000    
 H   -1.273000      -5.014700     -0.8164000    
 H   -1.053600      -5.357200      0.8902000    
 H    3.744500      -1.804200      -1.724800    
 H    4.865300      0.2239000      -1.040400    
 H   -5.233400       1.549100       1.264800    
 H   -5.971200       1.436800     -0.3494000    
 H   -5.395000     -4.0700000E-02  0.4518000    
 H   0.2423000       3.292000     -0.5903000    
 H   0.1216000       3.786200       1.143800    
 H  -0.7673000       4.632400     -9.1499999E-02
 H    5.128400       2.439100      -1.200000    
 H    5.780500       1.735900      0.3444000    
 H    5.387600       3.449100      0.2201000    


%chk=000084879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084879

0 1
O 0.955190 1.548803 1.083943
O -1.867923 2.718257 0.392704
O -4.258626 0.750652 -1.522886
O 3.693025 2.294967 0.451217
N -0.705089 -3.470507 0.314144
C -0.046048 -0.675114 0.714006
C -0.881543 -1.146533 -0.530857
C -0.366801 0.801268 1.094820
C -0.382086 -2.589294 -0.845825
C -1.424979 1.358894 0.084472
C -2.402038 -1.023367 -0.191381
C -2.697681 0.417010 0.332005
C -0.224875 -1.640389 1.918195
C 1.381171 -0.583883 0.224735
C -0.655104 -0.142519 -1.654829
C 1.152592 -2.617248 -1.249320
C -0.947610 1.146594 -1.341539
C 0.049617 -3.106945 1.536304
C 1.998822 -1.496302 -0.645266
C 1.907993 0.679295 0.507813
C -3.954449 1.027380 -0.332300
C -0.659781 -4.910964 0.013130
C 3.314819 -1.168738 -1.059611
C 3.219972 1.019291 0.107966
C 3.927306 0.045184 -0.652952
C -4.805488 1.943761 0.526995
C -0.858218 3.785327 0.269216
C 5.043747 2.643293 0.007187
H -0.753019 0.924158 2.121878
H -0.960216 -2.984181 -1.704540
H -2.689518 -1.789353 0.547904
H -2.991442 -1.191629 -1.110245
H -2.864391 0.416821 1.427841
H -1.259852 -1.552278 2.300671
H 0.457872 -1.335078 2.733858
H -0.340401 -0.463570 -2.654021
H 1.230138 -2.541122 -2.352270
H 1.557105 -3.618025 -0.994187
H -0.914168 1.979143 -2.049769
H 1.150249 -3.264547 1.413830
H -0.278395 -3.772138 2.357259
H 0.367066 -5.310963 -0.183454
H -1.282863 -5.124955 -0.873884
H -1.075736 -5.476879 0.866921
H 3.862308 -1.837715 -1.734187
H 4.946588 0.258903 -0.990118
H -4.162659 2.739182 0.943629
H -5.625587 2.377155 -0.066212
H -5.228772 1.377385 1.379980
H -0.370583 3.770294 -0.724240
H -0.079722 3.695944 1.045318
H -1.422012 4.724448 0.388651
H 5.123585 2.626133 -1.097731
H 5.799992 1.961112 0.443082
H 5.210915 3.665983 0.375847


