%chk=000032942.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032942

0 1
 O  -0.7197000      0.7459000       1.124700    
 O   0.2908000      0.3737000       3.168500    
 N   -3.290500      0.6388000     -5.9999999E-02
 C    1.378600     -0.2969000       1.123000    
 C    1.962000      0.7343000      0.1591000    
 C   0.8130000      -1.331300      0.1523000    
 C    2.456200     -0.8967000       2.027300    
 C    1.760600      0.3265000      -1.179300    
 C    1.057400     -0.9382000      -1.183500    
 C   0.2743000      0.3044000       1.947000    
 C    2.613000       1.922500      0.4561000    
 C   0.1461000      -2.512400      0.4410000    
 C    3.548200      -1.563600       1.215100    
 C    2.211500       1.108200      -2.230900    
 C   0.6341000      -1.728000      -2.240400    
 C    3.066900       2.709200     -0.6039000    
 C  -0.2800000      -3.307400     -0.6246000    
 C    2.868100       2.306000      -1.934400    
 C  -3.8199998E-02  -2.919100      -1.952300    
 C   -1.841100       1.344500       1.782000    
 C   -2.849400       1.778500      0.7301000    
 C   -3.908700     -0.3769000      0.7957000    
 C   -4.230200       1.062500      -1.101000    
 C   -4.311000      -1.601500     -8.8000000E-03
 C   -3.611700       2.117100      -2.002700    
 H    2.021700      -1.640800       2.707900    
 H    2.906700     -0.1238000       2.663400    
 H    2.768400       2.238800       1.481700    
 H  -4.4399999E-02  -2.816300       1.464400    
 H    4.306500      -1.964000       1.898000    
 H    4.067900     -0.8687000      0.5490000    
 H    3.186000      -2.411500      0.6266000    
 H    2.064800      0.8111000      -3.264000    
 H   0.8119000      -1.441100      -3.271500    
 H    3.580000       3.645000     -0.3989000    
 H  -0.8063000      -4.237200     -0.4259000    
 H    3.229900       2.935100      -2.743600    
 H  -0.3800000      -3.553700      -2.765800    
 H   -2.252500      0.6830000       2.550600    
 H   -1.485500       2.244700       2.300100    
 H   -2.325600       2.505900      0.1010000    
 H   -3.690200       2.291700       1.213100    
 H   -4.777400      1.5600000E-02   1.338700    
 H   -3.199200     -0.7573000       1.535600    
 H   -5.166800       1.445200     -0.6762000    
 H   -4.481800      0.2232000      -1.757400    
 H   -5.207900      -1.430100     -0.6119000    
 H   -3.500900      -1.941900     -0.6629000    
 H   -4.547700      -2.426800      0.6725000    
 H   -3.563900       3.101000      -1.525800    
 H   -2.608100       1.830800      -2.336000    
 H   -4.229200       2.238100      -2.900200    


%chk=000032942-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032942

0 1
O -1.113772 1.347585 -0.554739
O -0.592022 1.250583 1.715892
N -3.669025 0.283881 0.666498
C 0.787720 -0.030444 0.126728
C 2.112105 0.748598 0.279127
C 0.832778 -0.438043 -1.349218
C 0.724141 -1.276075 1.086351
C 2.838163 0.732367 -0.947170
C 2.051341 -0.008653 -1.951178
C -0.373072 0.902134 0.530980
C 2.624579 1.393903 1.415787
C -0.102000 -1.183175 -2.086349
C 1.879374 -2.278192 0.899749
C 4.098415 1.362808 -1.036480
C 2.333563 -0.313433 -3.300920
C 3.890776 2.026195 1.324772
C 0.180489 -1.492849 -3.439770
C 4.620334 2.008408 0.109508
C 1.388478 -1.059331 -4.042549
C -2.299910 2.197586 -0.258837
C -3.582312 1.355509 -0.348675
C -3.955440 0.794342 2.036985
C -4.592190 -0.809092 0.254051
C -3.460466 -0.156072 3.142836
C -3.974057 -1.768572 -0.780658
H -0.246842 -1.783657 0.920110
H 0.709699 -0.891826 2.122624
H 2.048696 1.420372 2.346973
H -1.042884 -1.507973 -1.630280
H 1.774500 -3.111589 1.618172
H 2.858866 -1.799339 1.075667
H 1.886749 -2.705575 -0.118467
H 4.666308 1.356077 -1.973693
H 3.268140 0.015967 -3.768876
H 4.307814 2.536686 2.200104
H -0.541812 -2.069406 -4.028921
H 5.597130 2.502736 0.057897
H 1.590082 -1.307382 -5.090863
H -2.164209 2.664959 0.731513
H -2.297184 2.970219 -1.045768
H -3.611499 0.891133 -1.350424
H -4.449633 2.067065 -0.298225
H -5.047432 1.006458 2.166566
H -3.426388 1.755350 2.160534
H -5.556568 -0.397810 -0.140015
H -4.849610 -1.388646 1.158325
H -3.939421 -1.150800 3.086698
H -2.368732 -0.283619 3.052927
H -3.685258 0.267342 4.139730
H -3.691175 -1.246770 -1.713194
H -3.066524 -2.238998 -0.362129
H -4.694101 -2.564841 -1.047106


