%chk=000001309.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001309

0 1
 O   0.1345000       1.278700      0.4258000    
 O   -4.424700       2.438800     -0.6641000    
 O   -6.024900      0.9003000      0.2717000    
 O    4.332600       1.939100     -0.2171000    
 O    1.608500       3.002300     -1.5799999E-02
 O    5.734600     -0.4592000     -6.5700002E-02
 N  -0.4664000      -2.303100     -0.3919000    
 C  -0.7041000     -0.8433000     -0.4242000    
 C   0.1900000     -0.1597000      0.6231000    
 C   -2.155600     -0.4308000     -0.2317000    
 C   -1.189400      -2.951300      0.7087000    
 C   -3.099400      -1.331800      0.3244000    
 C   -2.704800      -2.748600      0.6532000    
 C    1.633000     -0.4458000      0.4656000    
 C   -2.557400      0.8695000     -0.5861000    
 C  -0.7454000      -2.934000      -1.682500    
 C    2.315200      0.7284000      0.2156000    
 C   -4.432900     -0.9332000      0.5126000    
 C   -3.873300       1.227500     -0.3796000    
 C    1.365400       1.829000      0.1842000    
 C   -4.785200      0.3510000      0.1554000    
 C    2.316500      -1.646500      0.5465000    
 C    3.684800      0.7730000      3.0099999E-02
 C    3.702700      -1.635400      0.3636000    
 C    4.382400     -0.4327000      0.1068000    
 C   -5.788900       2.224200     -0.2488000    
 C    5.338400       2.338800      0.7158000    
 C    6.213600     -0.6450000      -1.395600    
 H  -0.3980000     -0.4684000      -1.412800    
 H  -0.1348000     -0.3530000       1.652400    
 H  -0.8113000      -2.563400       1.663000    
 H  -0.9622000      -4.024500      0.7317000    
 H   -3.132000      -3.034100       1.622200    
 H   -3.139800      -3.410600     -0.1058000    
 H   -1.867800       1.576600      -1.034500    
 H  -0.5383000      -4.009100      -1.637600    
 H  -8.3800003E-02  -2.525100      -2.454400    
 H   -1.779300      -2.796200      -2.015500    
 H   -5.168900      -1.617300      0.9225000    
 H    1.822100      -2.582100      0.7780000    
 H    4.256500      -2.568600      0.4307000    
 H   -6.447600       2.385600      -1.109900    
 H   -6.038800       2.956500      0.5276000    
 H    5.141700       1.954100       1.722600    
 H    5.339300       3.431800      0.7609000    
 H    6.322400       2.012500      0.3680000    
 H    5.867600      0.1636000      -2.047200    
 H    5.885100      -1.611900      -1.789700    
 H    7.306600     -0.6303000      -1.371300    


%chk=000001309-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001309

0 1
O 0.259657 1.043401 0.648377
O -4.173806 2.573032 -0.869403
O -5.925912 1.235434 0.075022
O 4.725467 1.630282 -0.133510
O 1.644522 2.841993 0.180100
O 5.928698 -0.887260 -0.472141
N -0.590609 -2.546557 -0.185289
C -0.675666 -1.068906 -0.314344
C 0.346490 -0.446123 0.701071
C -2.104844 -0.510441 -0.162124
C -1.400086 -3.059588 0.948764
C -3.151228 -1.311949 0.379187
C -2.907911 -2.761244 0.788924
C 1.806252 -0.732704 0.400084
C -2.370379 0.821199 -0.605497
C -0.815090 -3.264590 -1.459913
C 2.509277 0.494072 0.243133
C -4.473327 -0.786841 0.504606
C -3.666351 1.306679 -0.468367
C 1.533263 1.610541 0.344732
C -4.700712 0.519493 0.081323
C 2.456399 -1.968880 0.265066
C 3.907334 0.506766 -0.030094
C 3.827899 -1.962541 -0.075272
C 4.552032 -0.757920 -0.232779
C -5.549010 2.622944 -0.314192
C 4.555965 2.752750 0.821722
C 6.504310 -0.136505 -1.610686
H -0.301140 -0.800676 -1.321341
H 0.065165 -0.733988 1.730990
H -1.029981 -2.594007 1.881914
H -1.224986 -4.147460 1.038226
H -3.438465 -2.986532 1.734171
H -3.340674 -3.435658 0.021484
H -1.574128 1.446786 -1.013904
H -0.704578 -4.350539 -1.287584
H -0.047343 -2.957281 -2.192139
H -1.816269 -3.086191 -1.916371
H -5.281852 -1.397873 0.916864
H 1.895368 -2.898139 0.381908
H 4.383425 -2.896402 -0.207423
H -6.240010 2.974861 -1.094920
H -5.552512 3.261135 0.590249
H 3.674811 3.356250 0.556111
H 5.485641 3.334107 0.728116
H 4.456753 2.359965 1.850591
H 6.371640 0.948312 -1.474405
H 6.033182 -0.463300 -2.557834
H 7.571818 -0.403610 -1.612304


