%chk=000153241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153241

0 1
 O   -5.390400       3.956900      -1.968000    
 O   -5.226600       2.126200      0.4458000    
 O   -3.289600       1.319900       1.379900    
 O    3.878700       1.293300       1.440500    
 O    7.100400      0.5772000     -0.9924000    
 O  -9.1100000E-02  -1.007000      0.6337000    
 N   -5.210000      2.4400000E-02   1.254500    
 N  -0.8299000      -2.789200     -0.6955000    
 N    1.382400      -2.132700     -0.7914000    
 N    8.079500       1.660600      0.7346000    
 C   -4.581300       3.366900      0.1801000    
 C   -3.471900       3.167500     -0.8233000    
 C   -5.537600       4.269200     -0.5720000    
 C   -4.232200       3.127700      -2.133800    
 C   -4.463500       1.167200       1.058900    
 C   -4.695300      -1.172800       1.878400    
 C   -4.092700      -2.114100      0.8760000    
 C   -2.743300      -2.010500      0.5595000    
 C   -2.183700      -2.885800     -0.3711000    
 C   -4.890600      -3.080700      0.2750000    
 C   -2.977500      -3.858600     -0.9788000    
 C   -4.331000      -3.956000     -0.6558000    
 C    2.605100      -1.455500     -0.5706000    
 C    4.998700     -0.1302000     -0.1398000    
 C    3.850900      0.2613000      0.5493000    
 C    2.645400     -0.4061000      0.3323000    
 C    3.735700      -1.856700      -1.262800    
 C    4.941100      -1.189200      -1.045800    
 C   0.1357000      -1.881500     -0.1963000    
 C    6.257100      0.5480000      7.0000000E-02
 C    6.844500       1.200500       1.113900    
 C    3.609000       2.596400      0.9294000    
 C    8.174200       1.263500     -0.5143000    
 H   -4.257500       3.814500       1.125500    
 H   -2.818600       4.048700     -0.8168000    
 H   -2.841800       2.282900     -0.7195000    
 H   -6.584200       4.127000     -0.2879000    
 H   -5.268600       5.323300     -0.4479000    
 H   -4.576700       2.113700      -2.363800    
 H   -3.636500       3.492700      -2.975300    
 H   -5.527600      -1.652500       2.406000    
 H   -3.955400     -0.8964000       2.639100    
 H   -6.172000      2.0700000E-02  0.9287000    
 H   -2.183600      -1.239200       1.067600    
 H   -5.946200      -3.164500      0.5179000    
 H   -2.554900      -4.547200      -1.706100    
 H   -4.949200      -4.713000      -1.129300    
 H  -0.4960000      -3.461400      -1.381600    
 H    1.799700     -4.9899999E-02  0.9013000    
 H    3.701700      -2.681400      -1.969300    
 H    5.820900      -1.522000      -1.591400    
 H    1.420200      -2.893000      -1.465600    
 H    6.471600       1.365300       2.114000    
 H    3.775200       3.320100       1.732200    
 H    4.273600       2.841600      9.5100001E-02
 H    2.565400       2.666600      0.6068000    
 H    8.993600       1.414700      -1.200700    


%chk=000153241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153241

0 1
O -2.535807 4.241915 -1.528460
O -4.328726 2.038579 0.052714
O -4.082326 1.056513 2.189512
O 3.167888 2.238770 0.291837
O 6.915713 0.658603 -0.904258
O -0.690579 -0.795707 0.083601
N -5.251854 -0.000046 0.442968
N -1.025638 -3.099143 -0.324450
N 1.107435 -2.191011 -0.544294
N 7.362300 2.841104 -0.376369
C -3.384896 3.121571 0.463008
C -1.928938 2.683387 0.184867
C -3.616478 4.292126 -0.512320
C -1.791826 2.974498 -1.321976
C -4.518348 1.018897 1.008935
C -5.484179 -1.266169 1.149244
C -4.619468 -2.412244 0.620346
C -3.239609 -2.190070 0.398542
C -2.421368 -3.241646 -0.079686
C -5.184932 -3.684460 0.371694
C -2.992179 -4.521777 -0.325976
C -4.363926 -4.736473 -0.096711
C 2.202426 -1.284968 -0.521339
C 4.505822 0.412170 -0.497860
C 3.218234 0.897925 -0.103939
C 2.077363 0.066361 -0.115677
C 3.471129 -1.787935 -0.916705
C 4.593656 -0.947016 -0.901614
C -0.240949 -1.936347 -0.235873
C 5.687022 1.261772 -0.490756
C 5.983757 2.585454 -0.175454
C 1.870882 2.789649 0.703952
C 7.869017 1.695111 -0.800350
H -3.575329 3.360836 1.521545
H -1.249222 3.333039 0.768214
H -1.741630 1.631019 0.454071
H -4.602568 4.195307 -1.002182
H -3.548099 5.270237 -0.002911
H -2.245529 2.161267 -1.923121
H -0.758572 3.152141 -1.663302
H -6.554176 -1.538789 1.087812
H -5.249072 -1.070264 2.211996
H -5.473510 0.074580 -0.550816
H -2.793935 -1.213748 0.594471
H -6.254809 -3.854035 0.540024
H -2.365477 -5.342324 -0.699653
H -4.795049 -5.724212 -0.292340
H -0.558141 -3.965714 -0.599322
H 1.094406 0.432095 0.179670
H 3.577834 -2.832282 -1.234800
H 5.569220 -1.335580 -1.206466
H 1.361056 -3.142388 -0.819177
H 5.305785 3.353540 0.175328
H 2.078957 3.835508 0.972640
H 1.142735 2.752517 -0.127535
H 1.466589 2.247847 1.579428
H 8.891216 1.451410 -1.071625


