%chk=000201531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201531

0 1
O 2.106437 -0.703561 -1.185501
O -1.343769 2.281966 0.785276
O 2.234339 -3.449680 1.130304
O 0.449571 -2.239952 0.526104
N -0.053775 0.581799 -0.083611
C 1.221097 1.197204 0.009657
C 2.347344 0.501067 -0.502354
C 1.438935 2.468786 0.573816
C -2.470402 0.279864 0.108332
C -1.276166 1.156757 0.325823
C 3.635760 1.035541 -0.454188
C 2.726717 3.001068 0.626791
C 3.823915 2.294762 0.118353
C -3.612449 0.863246 -0.461335
C -2.481227 -1.066781 0.492938
C 2.650046 -1.876040 -0.563993
C -4.759122 0.091071 -0.660624
C -3.634197 -1.832388 0.295552
C -4.769815 -1.256279 -0.282869
C 1.624907 -2.474345 0.380567
H -0.048390 -0.386166 -0.455183
H 0.588543 3.038571 0.971336
H 4.471697 0.480498 -0.874575
H 2.877496 3.986136 1.070603
H 4.820698 2.728549 0.162925
H -3.600588 1.919768 -0.737430
H -1.596569 -1.522797 0.948074
H 2.823806 -2.558955 -1.425146
H 3.608978 -1.678321 -0.047230
H -5.645602 0.540279 -1.105687
H -3.645313 -2.879468 0.593982
H -5.665811 -1.856582 -0.437257
H 1.614607 -3.899420 1.767748


%chk=000201531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201531

0 1
O 2.000263 -0.807799 -0.705425
O -1.487927 2.564836 0.243773
O 2.410948 -4.102007 0.762529
O 0.508488 -2.784455 0.515094
N -0.078739 0.731627 -0.135677
C 1.187624 1.354022 -0.056579
C 2.318889 0.519980 -0.309214
C 1.415377 2.716673 0.269694
C -2.509326 0.378133 -0.025837
C -1.331217 1.317802 0.045075
C 3.634162 1.007978 -0.227786
C 2.738165 3.205537 0.357548
C 3.847188 2.363614 0.117744
C -3.787873 0.969941 -0.197956
C -2.407431 -1.034102 0.098621
C 2.744532 -1.906422 -0.115997
C -4.945101 0.168540 -0.265803
C -3.570597 -1.833175 0.034213
C -4.839675 -1.238370 -0.152886
C 1.739951 -2.933312 0.403664
H -0.029915 -0.269327 -0.357753
H 0.553891 3.360683 0.453310
H 4.480332 0.349626 -0.454696
H 2.898755 4.257911 0.614760
H 4.867538 2.755185 0.182209
H -3.842923 2.061153 -0.268685
H -1.446372 -1.530204 0.275378
H 3.392267 -2.386455 -0.872127
H 3.379067 -1.572444 0.728683
H -5.925914 0.636569 -0.404604
H -3.483983 -2.920415 0.137927
H -5.738031 -1.864007 -0.202988
H 1.769282 -4.771117 1.124987


