%chk=000129219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129219

0 1
 O    4.659200      8.5000001E-02 -0.5898000    
 O   -4.910400       2.413000      0.6282000    
 O    2.351300      -2.001800      -1.932800    
 O   -4.923100      -1.409700     -0.8331000    
 O   -6.015700     -9.1499999E-02  0.7056000    
 N  -0.1202000     -0.2506000     -0.2949000    
 N  -0.1247000       2.488200      0.2826000    
 N    2.521400      -2.389100      0.3597000    
 N    1.369100      -5.930500      0.2974000    
 C    1.101500      0.3911000     -0.2530000    
 C   0.9999000       1.868500      6.5899998E-02
 C    2.256000       2.654300      0.1351000    
 C    2.308500     -0.1699000     -0.4625000    
 C    3.488200       2.047900     -8.5900001E-02
 C   -1.338500      0.3990000     -6.5800004E-02
 C    3.570400      0.6147000     -0.3936000    
 C   -1.330600       1.770400      0.2232000    
 C    2.395400      -1.612600     -0.7731000    
 C    2.209200       4.026900      0.4264000    
 C   -2.553600     -0.2934000     -0.1203000    
 C    4.668600       2.802000     -1.6799999E-02
 C    2.621500      -3.830200      0.3095000    
 C   -2.539300       2.435100      0.4554000    
 C   -3.754500      0.3768000      0.1122000    
 C    1.247700      -4.480600      0.3780000    
 C   -3.747300       1.739900      0.4000000    
 C    3.384500       4.776600      0.4943000    
 C    4.613800       4.164200      0.2731000    
 C   -5.004900     -0.3670000      4.7899999E-02
 C    2.197300      -6.441200       1.391600    
 C   4.8000000E-02  -6.561600      0.3245000    
 C   -5.554200       2.994900     -0.5031000    
 C   -6.094300      -2.218500     -0.9861000    
 H  -0.1346000      -1.241600     -0.5006000    
 H    1.267200       4.538800      0.6052000    
 H   -2.536400      -1.360300     -0.3325000    
 H    5.640700       2.346400     -0.1860000    
 H    3.145100      -4.117400     -0.6097000    
 H    3.252300      -4.093000       1.163300    
 H   -2.537800       3.499200      0.6806000    
 H    2.537300      -1.945400       1.273900    
 H   0.6412000      -4.113800     -0.4604000    
 H   0.7326000      -4.169300       1.297100    
 H    3.338800       5.838000      0.7203000    
 H    5.529200       4.746300      0.3260000    
 H    2.161800      -7.537400       1.416100    
 H    1.868000      -6.077500       2.371900    
 H    3.255100      -6.198700       1.251300    
 H  -0.5663000      -6.204200     -0.5095000    
 H  -0.4875000      -6.359600       1.259300    
 H   0.1365000      -7.647100      0.2040000    
 H   -4.922500       3.773500     -0.9422000    
 H   -5.787500       2.234200      -1.254700    
 H   -6.489200       3.451900     -0.1674000    
 H   -5.874600      -3.001300      -1.716900    
 H   -6.354900      -2.688600     -3.3199999E-02
 H   -6.925300      -1.611900      -1.358000    


%chk=000129219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129219

0 1
O 4.151821 -0.527925 0.210178
O -5.202162 3.220613 -0.045845
O 0.351527 -2.354153 -0.425855
O -5.572491 -1.005618 -0.332185
O -6.561708 0.914710 -1.193498
N -0.652778 -0.075237 -0.203988
N -0.403806 2.692541 0.221520
N 2.654531 -2.649610 -0.262921
N 2.245642 -6.340449 0.579450
C 0.607239 0.452145 -0.000673
C 0.686137 1.904523 0.217024
C 2.009943 2.496407 0.434945
C 1.745675 -0.395453 -0.009790
C 3.164575 1.656238 0.427995
C -1.799188 0.698927 -0.208728
C 3.064914 0.182763 0.204860
C -1.652054 2.116045 0.010300
C 1.549344 -1.855458 -0.241310
C 2.155985 3.893988 0.652037
C -3.082396 0.139617 -0.413636
C 4.444507 2.228873 0.637780
C 2.577109 -4.099322 -0.489845
C -2.815294 2.930879 0.018891
C -4.226317 0.962380 -0.428278
C 2.233048 -4.878693 0.807150
C -4.087461 2.382152 -0.198352
C 3.430717 4.448177 0.858542
C 4.580035 3.612624 0.851366
C -5.562207 0.346576 -0.692500
C 3.605787 -6.914419 0.556431
C 1.351934 -7.077929 1.494807
C -5.725384 3.860918 -1.275448
C -6.841938 -1.723596 -0.597753
H -0.590523 -1.154355 -0.352521
H 1.255660 4.514455 0.652941
H -3.196517 -0.937521 -0.562549
H 5.309727 1.559662 0.626839
H 1.795328 -4.314530 -1.237383
H 3.549676 -4.429547 -0.894779
H -2.710814 3.999596 0.223292
H 3.553149 -2.147218 -0.092225
H 1.216944 -4.576184 1.116482
H 2.936251 -4.569141 1.621844
H 3.538734 5.525198 1.025554
H 5.572354 4.047396 1.012820
H 3.553056 -7.982616 0.279342
H 4.130638 -6.836842 1.543434
H 4.228553 -6.404881 -0.199173
H 0.326018 -6.677647 1.415780
H 1.665436 -7.023134 2.568708
H 1.324744 -8.144431 1.205359
H -4.923646 4.433018 -1.782029
H -6.153830 3.096800 -1.945260
H -6.513778 4.544619 -0.927371
H -6.663114 -2.747236 -0.241019
H -7.669379 -1.247148 -0.046225
H -7.070554 -1.710044 -1.676834


