%chk=000028932.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028932

0 1
 O  -0.5033000       1.169400      0.1347000    
 O  -0.5713000       1.511300      -2.153700    
 O   -2.400000      0.2523000      -2.643000    
 N    3.742900       1.115900      3.4800000E-02
 C    3.768900     -0.3385000     -0.1749000    
 C    4.545300       1.498400       1.205200    
 C    2.366100       1.587100      0.1825000    
 C    5.198900     -0.8410000     -0.3805000    
 C    6.000500       1.055800       1.044900    
 C    6.099100     -0.4430000      0.7836000    
 C    1.567100       1.294100      -1.084900    
 C   0.1380000       1.793400     -0.9653000    
 C   -1.482200      0.2457000     -0.3731000    
 C   -1.567100      0.6433000      -1.836900    
 C  -0.9223000      -1.154200     -0.1180000    
 C   -2.836500      0.4717000      0.3039000    
 C  -0.6650000      -1.580500       1.187600    
 C   -3.927400     -0.3377000     -2.2299999E-02
 C  -0.6656000      -2.014100      -1.189300    
 C   -2.986700       1.487700       1.250600    
 C  -0.1544000      -2.857500       1.420400    
 C   -5.161400     -0.1320000      0.5945000    
 C  -0.1552000      -3.291100     -0.9563000    
 C   -4.220800       1.693200       1.867500    
 C   0.1004000      -3.712800      0.3486000    
 C   -5.308100      0.8833000       1.539400    
 H    3.239100     -0.6363000      -1.082900    
 H    3.307100     -0.8676000      0.6691000    
 H    4.128300       1.064400       2.123700    
 H    4.532600       2.588500       1.325000    
 H    1.890200       1.124200       1.056500    
 H    2.365700       2.671800      0.3485000    
 H    5.196900      -1.931800     -0.4882000    
 H    5.604200     -0.4282000      -1.313200    
 H    6.461400       1.602900      0.2125000    
 H    6.566800       1.311400       1.947600    
 H    5.797400     -0.9921000       1.683900    
 H    7.136900     -0.7203000      0.5690000    
 H    2.044400       1.752000      -1.960500    
 H    1.503900      0.2227000      -1.291700    
 H   0.1256000       2.876400     -0.8013000    
 H  -0.8526000     -0.9261000       2.034700    
 H   -3.833900      -1.136700     -0.7528000    
 H  -0.8438000      -1.729600      -2.220700    
 H   -2.164100       2.138500       1.531500    
 H   4.6300001E-02  -3.185300       2.436200    
 H   -6.007800     -0.7631000      0.3399000    
 H   4.4900000E-02  -3.957200      -1.790500    
 H   -4.335600       2.483700       2.603300    
 H   0.4987000      -4.706800      0.5299000    
 H   -6.268800       1.043200       2.020000    


%chk=000028932-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028932

0 1
O -0.656270 1.371021 0.287313
O -0.633162 1.827187 -2.023461
O -2.360805 0.443375 -2.731915
N 3.791333 0.968933 0.109758
C 3.840520 -0.517793 0.078854
C 4.725243 1.514234 1.132260
C 2.415589 1.487923 0.305655
C 5.264974 -1.024176 -0.223952
C 6.176561 1.071731 0.858639
C 6.276379 -0.469278 0.803703
C 1.535487 1.312488 -0.951141
C 0.168625 1.971976 -0.775665
C -1.554740 0.366799 -0.339327
C -1.610555 0.833334 -1.828279
C -0.957298 -1.049784 -0.208077
C -2.943286 0.485294 0.311591
C -0.357146 -1.403354 1.027151
C -3.926839 -0.499514 0.047183
C -1.017010 -2.004835 -1.251843
C -3.260627 1.583557 1.145543
C 0.183887 -2.692504 1.212706
C -5.215162 -0.383974 0.611776
C -0.473626 -3.297078 -1.061913
C -4.549022 1.690825 1.716175
C 0.127838 -3.645611 0.167632
C -5.531034 0.710322 1.450261
H 3.143849 -0.886104 -0.694796
H 3.497211 -0.945212 1.059841
H 4.431240 1.183179 2.164885
H 4.655368 2.618377 1.109234
H 1.907950 1.011031 1.181620
H 2.498655 2.570034 0.531630
H 5.266968 -2.131198 -0.217855
H 5.552159 -0.693818 -1.240961
H 6.502235 1.498396 -0.109758
H 6.838789 1.480561 1.646035
H 6.050035 -0.888438 1.806440
H 7.305488 -0.783824 0.546566
H 2.043788 1.785599 -1.811844
H 1.387188 0.245277 -1.193013
H 0.237098 3.051034 -0.555197
H -0.311807 -0.660308 1.830032
H -3.689552 -1.352872 -0.595854
H -1.483268 -1.748655 -2.209093
H -2.494872 2.336569 1.349478
H 0.645467 -2.955793 2.170999
H -5.970558 -1.148289 0.398504
H -0.521918 -4.028264 -1.876452
H -4.784578 2.541177 2.365980
H 0.547590 -4.647392 0.311798
H -6.530676 0.796639 1.890656


