%chk=000036085.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036085

0 1
 O   -1.406500     -0.2304000      8.7300003E-02
 O    3.179200      0.5517000      0.8999000    
 O  -0.7560000      -2.309400     -0.6089000    
 N   -5.047500      0.3155000     -0.1463000    
 N   0.7898000     -0.7207000      0.1563000    
 C   -3.652900      0.6143000      0.1430000    
 C   -5.499800     -0.8452000      0.6247000    
 C   -5.896200       1.474700      0.1407000    
 C   -2.767800     -0.5744000     -0.1962000    
 C   -6.934000      -1.208600      0.2793000    
 C   -5.446700       2.692900     -0.6480000    
 C    3.253500       2.876900      0.3331000    
 C    3.987800       3.963500     -0.4473000    
 C    3.917000       1.517600      0.1637000    
 C    3.200000     -0.7346000      0.4269000    
 C    2.021000      -1.372500      5.5399999E-02
 C    3.297300       5.311000     -0.3103000    
 C  -0.4755000      -1.202200     -0.1663000    
 C    4.421900      -1.391800      0.3238000    
 C    2.064100      -2.681600     -0.4244000    
 C    4.465100      -2.700900     -0.1561000    
 C    3.286200      -3.345800     -0.5301000    
 H   -3.502300      0.9018000       1.192400    
 H   -3.277100       1.448000     -0.4603000    
 H   -4.928100      -1.740600      0.3682000    
 H   -5.403700     -0.6850000       1.705800    
 H   -5.912400       1.715100       1.211200    
 H   -6.927800       1.283900     -0.1724000    
 H   -2.989600      -1.448500      0.4214000    
 H   -2.861300     -0.8370000      -1.256900    
 H   -7.658800     -0.5160000      0.7182000    
 H   -7.093100      -1.252100     -0.8037000    
 H   -7.169000      -2.200300      0.6829000    
 H   -4.540100       3.147600     -0.2367000    
 H   -5.281900       2.456500      -1.704900    
 H   -6.225400       3.463200     -0.6055000    
 H    2.209200       2.812400      2.0999999E-03
 H    3.214400       3.134100       1.399000    
 H    5.019600       4.047900     -8.6800002E-02
 H    4.036000       3.692900      -1.508500    
 H    3.948800       1.255500     -0.9019000    
 H    4.943300       1.549000      0.5473000    
 H    2.273200       5.268100     -0.6948000    
 H    3.258500       5.627100      0.7370000    
 H    3.840500       6.074600     -0.8758000    
 H   0.8239000      0.2317000      0.5123000    
 H    5.347100     -0.9055000      0.6198000    
 H    1.197800      -3.248800     -0.7337000    
 H    5.416400      -3.218800     -0.2366000    
 H    3.321200      -4.365300     -0.9030000    


%chk=000036085-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036085

0 1
O -1.531027 -0.199379 -0.247701
O 2.824593 0.743980 -0.078218
O -0.935073 -2.458444 -0.562608
N -5.220719 0.301246 0.130332
N 0.664025 -0.725422 -0.314095
C -3.774810 0.634659 0.110339
C -5.651246 -0.308215 1.418526
C -6.094773 1.417488 -0.316131
C -2.964298 -0.588425 -0.336453
C -6.880500 -1.224964 1.271854
C -6.051891 1.638082 -1.840144
C 3.439741 3.063996 0.250865
C 4.576313 4.098435 0.427231
C 3.981995 1.645338 0.066326
C 3.073436 -0.630838 -0.270323
C 1.891851 -1.425511 -0.398648
C 4.040426 5.534570 0.609615
C -0.609173 -1.255718 -0.393661
C 4.349423 -1.223416 -0.337959
C 2.013058 -2.820079 -0.597093
C 4.459233 -2.621471 -0.536621
C 3.296895 -3.410187 -0.665077
H -3.402513 0.982471 1.102658
H -3.595484 1.458153 -0.602963
H -4.808106 -0.911455 1.804103
H -5.853166 0.477389 2.190751
H -5.842327 2.371845 0.212712
H -7.131542 1.166117 -0.027870
H -3.140642 -1.468267 0.307703
H -3.204963 -0.865952 -1.377428
H -7.767405 -0.673745 0.910012
H -6.666465 -2.034073 0.552204
H -7.143207 -1.676379 2.246901
H -5.037469 1.903119 -2.190388
H -6.362480 0.717794 -2.364534
H -6.731278 2.461010 -2.131510
H 2.820880 3.331680 -0.627171
H 2.773373 3.083513 1.134799
H 5.195955 3.821279 1.304338
H 5.248187 4.064711 -0.454641
H 4.616019 1.575596 -0.842005
H 4.583269 1.330747 0.944702
H 3.441340 5.848367 -0.265538
H 3.392733 5.605944 1.503253
H 4.866175 6.258738 0.731571
H 0.739656 0.286373 -0.173332
H 5.253356 -0.615513 -0.238885
H 1.105903 -3.420093 -0.694818
H 5.451151 -3.082521 -0.589568
H 3.380873 -4.491072 -0.819114


