%chk=000031617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031617

0 1
 O   -3.366300     -0.6583000      0.3383000    
 O    3.089900      -2.315900      0.5642000    
 O   -5.860800     -0.3685000     -0.8635000    
 O    2.139400     -3.0500000E-02   1.838100    
 O    6.249600       2.887800      -1.252900    
 N  -0.3372000      -2.273100      1.8000000E-03
 C   -2.096300     -0.7275000     -0.2946000    
 C   -1.053700      -1.211000      0.7119000    
 C   -2.112000      -1.779300      -1.401200    
 C   -1.346900      -2.951800     -0.8086000    
 C   0.3556000      -3.179200      0.9049000    
 C    1.413600      -3.975200      0.1475000    
 C    2.463900      -3.062100     -0.4703000    
 C   -3.999000      0.5575000      0.3238000    
 C   -5.248600      0.6993000     -0.2798000    
 C   -3.382500       1.658500      0.9181000    
 C    3.570700      -1.076700      0.2291000    
 C   -5.881500       1.942300     -0.2893000    
 C   -4.015400       2.901600      0.9087000    
 C   -5.264800       3.043400      0.3049000    
 C    3.091800      6.6399999E-02  0.8689000    
 C    4.546300     -0.9645000     -0.7615000    
 C    3.588500       1.321800      0.5182000    
 C    5.042900      0.2910000      -1.112500    
 C    4.563900       1.434100     -0.4725000    
 C   -7.136600     -0.1388000      -1.458300    
 C    5.082600       2.742800     -0.8377000    
 C    1.703800       1.185600       2.442600    
 C    4.199500       3.980200     -0.7184000    
 H   -1.798500      0.2343000     -0.7339000    
 H   -1.534700      -1.579200       1.627300    
 H  -0.3762000     -0.3985000      0.9863000    
 H   -3.121600      -2.067000      -1.710700    
 H   -1.574700      -1.399300      -2.279200    
 H  -0.9116000      -3.573000      -1.597000    
 H   -2.019200      -3.569200     -0.1993000    
 H  -0.3418000      -3.864000       1.404300    
 H   0.8464000      -2.612600       1.706100    
 H   0.9627000      -4.605600     -0.6267000    
 H    1.903000      -4.648000      0.8629000    
 H    2.015200      -2.406100      -1.226900    
 H    3.224800      -3.675500     -0.9665000    
 H   -2.413600       1.561300       1.400400    
 H   -6.851100       2.126800     -0.7388000    
 H   -3.536400       3.758400       1.373200    
 H   -5.756800       4.011700      0.2986000    
 H    4.933900      -1.846800      -1.263400    
 H    3.258000       2.233700       1.001700    
 H    5.801200      0.3590000      -1.888200    
 H   -7.880200      0.1655000     -0.7138000    
 H   -7.071100      0.5656000      -2.294500    
 H   -7.475100      -1.093900      -1.873300    
 H   0.9430000      0.9205000       3.184400    
 H    1.219400       1.847400       1.716400    
 H    2.516100       1.681100       2.985300    
 H    4.305600       4.411400      0.2800000    
 H    3.153400       3.732300     -0.9179000    
 H    4.511100       4.713900      -1.468100    


%chk=000031617-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031617

0 1
O -4.185578 -0.740024 -1.289446
O 2.490920 -1.333717 0.780302
O -6.737448 -1.267376 -0.841564
O 3.281616 0.467724 2.542962
O 7.290248 2.133100 -1.832155
N -0.944883 -1.637909 -0.519636
C -2.763490 -0.480007 -1.628398
C -1.863324 -0.476060 -0.355750
C -2.298182 -1.706980 -2.442404
C -1.650857 -2.620301 -1.382840
C -0.384567 -2.147154 0.746905
C 0.834501 -3.068159 0.523944
C 1.986996 -2.348851 -0.176709
C -4.924805 0.298290 -0.709315
C -6.310121 0.015979 -0.473319
C -4.409378 1.568676 -0.367366
C 3.519422 -0.500091 0.363379
C -7.139082 1.009276 0.092770
C -5.250255 2.558642 0.198385
C -6.610453 2.280573 0.427713
C 3.959633 0.479116 1.317193
C 4.145430 -0.560111 -0.905637
C 5.004146 1.359803 0.980984
C 5.189056 0.326305 -1.230092
C 5.633153 1.294563 -0.297096
C -8.148813 -1.587197 -0.622632
C 6.747138 2.213194 -0.687463
C 3.710843 1.437225 3.552578
C 7.230380 3.259584 0.316957
H -2.707737 0.462433 -2.204795
H -2.523567 -0.581878 0.537720
H -1.279846 0.456507 -0.239422
H -3.149726 -2.170139 -2.965511
H -1.540595 -1.395950 -3.182638
H -0.945447 -3.347425 -1.822008
H -2.436181 -3.188512 -0.825146
H -1.155915 -2.694440 1.346480
H -0.053801 -1.280855 1.348538
H 0.549784 -3.947205 -0.086511
H 1.183635 -3.450271 1.501322
H 1.618369 -1.840337 -1.088977
H 2.809377 -3.047275 -0.430969
H -3.351870 1.795104 -0.531065
H -8.198174 0.803300 0.274392
H -4.832274 3.537227 0.456660
H -7.266211 3.040255 0.865861
H 3.818371 -1.299822 -1.641202
H 5.336303 2.103999 1.709496
H 5.681639 0.288392 -2.206754
H -8.415759 -1.529582 0.451159
H -8.810940 -0.915962 -1.204478
H -8.264031 -2.621554 -0.978422
H 3.064394 1.247789 4.421771
H 3.567856 2.478402 3.201468
H 4.770964 1.283406 3.835258
H 7.600515 2.781981 1.243561
H 6.412972 3.949316 0.599611
H 8.047251 3.839083 -0.139054


