%chk=000059601.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059601

0 1
 O   -2.931300       1.200400       1.550200    
 O  -0.5987000      0.8085000      0.1309000    
 O   0.9587000       2.035000      -1.039300    
 N   -5.595800     -0.1543000     -0.3777000    
 C   -2.963400       1.056100      0.1276000    
 C   -4.149600       1.854000     -0.4315000    
 C   -3.142100     -0.4332000     -0.1950000    
 C   -5.493100       1.260000      5.5000000E-03
 C   -4.521300     -0.9487000      0.2319000    
 C   -1.638100       1.577400     -0.4274000    
 C   -6.904100     -0.6916000     -4.4999998E-03
 C    1.702000      0.2621000      0.4709000    
 C   0.6835000       1.134900     -0.2560000    
 C    1.506400      -1.231100      0.2447000    
 C    3.141500      0.6931000      0.2198000    
 C    1.879700      -2.110200       1.240200    
 C    3.823700      0.1459000     -0.8467000    
 C   0.9625000      -1.658400     -0.9487000    
 C    3.717200       1.616500       1.067100    
 C    1.700900      -3.478000       1.032900    
 C    5.141900      0.5401000      -1.076400    
 C   0.7836000      -3.026100      -1.156000    
 C    5.035300       2.010900      0.8374000    
 C    1.152900      -3.935900     -0.1652000    
 C    5.747600       1.472600     -0.2344000    
 H   -4.105200       1.873000      -1.528200    
 H   -4.103100       2.894100     -8.5699998E-02
 H   -2.386400      -1.035000      0.3248000    
 H   -3.012300     -0.6033000      -1.271800    
 H   -5.621200       1.383500       1.089000    
 H   -6.291200       1.834000     -0.4811000    
 H   -4.606100      -1.994000     -9.0000004E-02
 H   -4.600400     -0.9411000       1.327000    
 H   -1.497100       2.627000     -0.1415000    
 H   -1.617500       1.497100      -1.521000    
 H   -2.835700       2.146400       1.753800    
 H   -7.001000      -1.732100     -0.3341000    
 H   -7.705500     -0.1310000     -0.4984000    
 H   -7.073700     -0.6552000       1.077700    
 H    1.492900      0.4450000       1.537300    
 H    2.307900      -1.762300       2.175400    
 H    3.380500     -0.5624000      -1.536900    
 H   0.6808000     -0.9744000      -1.742800    
 H    3.170100       2.043100       1.902200    
 H    1.989000      -4.186400       1.804100    
 H    5.695100      0.1255000      -1.914200    
 H   0.3601000      -3.383200      -2.090100    
 H    5.506800       2.737700       1.492300    
 H    1.014600      -5.000900     -0.3271000    
 H    6.773400       1.780900     -0.4141000    


%chk=000059601-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059601

0 1
O -2.121968 1.260059 -0.344024
O -1.061932 -1.419294 -0.050813
O -0.077001 -0.174617 -1.760208
N -5.380803 1.467971 1.049101
C -3.050479 0.120033 -0.150926
C -4.364487 0.366092 -0.937977
C -3.345868 0.072625 1.362617
C -5.102985 1.608479 -0.401956
C -4.117972 1.323253 1.819686
C -2.400647 -1.184961 -0.665555
C -6.215153 2.573312 1.559727
C 1.328085 -1.175824 0.034732
C 0.029559 -0.848429 -0.706522
C 2.216811 -2.049392 -0.860718
C 2.007383 0.111086 0.553472
C 2.525049 -3.374927 -0.469833
C 3.406141 0.130694 0.780137
C 2.736619 -1.552097 -2.083600
C 1.238980 1.252368 0.901364
C 3.341988 -4.194855 -1.282633
C 4.028336 1.268879 1.339804
C 3.549422 -2.370372 -2.896697
C 1.863905 2.390576 1.457716
C 3.856620 -3.693897 -2.499558
C 3.259661 2.404885 1.680821
H -5.026310 -0.516078 -0.835909
H -4.137129 0.504402 -2.013578
H -2.393556 -0.012205 1.915735
H -3.957576 -0.824032 1.577317
H -4.483403 2.516321 -0.613096
H -6.066259 1.724160 -0.933367
H -4.373764 1.228669 2.891682
H -3.462080 2.221130 1.702229
H -2.280986 -1.156923 -1.765360
H -2.991435 -2.065371 -0.366986
H -1.657105 1.157265 -1.218244
H -6.450791 2.399694 2.625243
H -7.167638 2.611052 1.000607
H -5.723960 3.576174 1.474030
H 1.036057 -1.778606 0.915079
H 2.125597 -3.767350 0.473613
H 4.010957 -0.742603 0.512678
H 2.493533 -0.530568 -2.394445
H 0.153758 1.267137 0.736309
H 3.574020 -5.218010 -0.966358
H 5.111461 1.267684 1.507182
H 3.943309 -1.977161 -3.840675
H 1.258045 3.266730 1.715408
H 4.489042 -4.326668 -3.132448
H 3.741650 3.289507 2.112100


