%chk=000100887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100887

0 1
 O  -0.9194000      -1.781200      0.3149000    
 N    9.493800       1.661300     -0.3281000    
 C   -6.739700      0.5275000      0.1877000    
 C   -5.653000     -0.4730000     -0.2111000    
 C   -8.108800      0.2178000     -0.4255000    
 C   -4.316600     -0.1341000      0.4541000    
 C   -9.243300       1.173500     -4.4199999E-02
 C   -3.235500      -1.151900      7.8699999E-02
 C   -10.59560      0.7820000     -0.6403000    
 C   -1.888200     -0.8202000      0.7088000    
 C   -11.70260       1.707700     -0.1593000    
 C   0.3804000      -1.352800      0.2343000    
 C    3.024000     -0.4773000      6.8099998E-02
 C   0.8290000     -0.3268000       1.066200    
 C    1.253600      -1.941000     -0.6807000    
 C    2.150700      0.1109000      0.9830000    
 C    2.575300      -1.503300     -0.7638000    
 C    4.395000     -2.3300000E-02 -1.6100001E-02
 C    5.031600      0.4858000       1.115800    
 C    5.080300     -9.5200002E-02  -1.228900    
 C    6.353800      0.9229000       1.034800    
 C    6.402400      0.3419000      -1.309700    
 C    7.039200      0.8509000     -0.1779000    
 C    8.393600       1.298100     -0.2608000    
 H   -6.836600      0.5408000       1.280400    
 H   -6.434100       1.536700     -0.1149000    
 H   -5.535100     -0.4716000      -1.301400    
 H   -5.962800      -1.483900      7.9999998E-02
 H   -8.397400     -0.8002000     -0.1336000    
 H   -8.010900      0.2088000      -1.518600    
 H   -3.999200      0.8701000      0.1481000    
 H   -4.439300     -0.1178000       1.543800    
 H   -8.981500       2.188400     -0.3677000    
 H   -9.325300       1.202200       1.049600    
 H   -3.121800      -1.195400      -1.011900    
 H   -3.540900      -2.159400      0.3876000    
 H   -10.84220     -0.2480000     -0.3576000    
 H   -10.54170      0.8147000      -1.734500    
 H   -1.611600      0.1897000      0.3786000    
 H   -1.976400     -0.8298000       1.801500    
 H   -12.66040       1.413100     -0.5994000    
 H   -11.50010       2.743900     -0.4481000    
 H   -11.80280       1.667300      0.9301000    
 H   0.1880000      0.1427000       1.806500    
 H   0.9106000      -2.744700      -1.326500    
 H    2.447800      0.9290000       1.633400    
 H    3.226500      -2.011600      -1.469600    
 H    4.549200      0.5324000       2.088200    
 H    4.616300     -0.4555000      -2.142900    
 H    6.839400       1.311000       1.927200    
 H    6.921900      0.2857000      -2.263500    


%chk=000100887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100887

0 1
O -0.912133 -1.030239 -0.632831
N 10.120434 0.661133 0.679799
C -7.007206 0.553969 0.189112
C -5.842157 -0.316765 -0.332228
C -8.396636 0.034013 -0.243952
C -4.451304 0.204469 0.094591
C -9.564677 0.910138 0.262107
C -3.296918 -0.666338 -0.452863
C -10.953124 0.389152 -0.174512
C -1.925201 -0.134958 -0.034627
C -12.114993 1.273305 0.327895
C 0.437068 -0.744362 -0.404396
C 3.248260 -0.343592 -0.076300
C 0.914589 0.343822 0.370240
C 1.362457 -1.632159 -1.011544
C 2.303719 0.529257 0.526214
C 2.741300 -1.429572 -0.849319
C 4.710551 -0.132323 0.087470
C 5.244244 0.460590 1.268350
C 5.628148 -0.514196 -0.933841
C 6.625344 0.667866 1.425182
C 7.011915 -0.316529 -0.787918
C 7.528466 0.279955 0.396140
C 8.943192 0.487810 0.550971
H -6.963268 0.602973 1.297367
H -6.877241 1.595302 -0.173467
H -5.889193 -0.365801 -1.440048
H -5.970697 -1.357637 0.030819
H -8.531268 -1.004288 0.125441
H -8.436417 -0.023525 -1.352045
H -4.330256 1.249532 -0.260196
H -4.399966 0.241913 1.202902
H -9.432006 1.948685 -0.107573
H -9.528540 0.968391 1.370299
H -3.343362 -0.702312 -1.558185
H -3.403599 -1.707384 -0.092497
H -11.087171 -0.646836 0.198783
H -10.986218 0.326609 -1.281528
H -1.767819 0.899142 -0.406625
H -1.814278 -0.137701 1.069856
H -13.095341 0.878055 0.003774
H -12.022655 2.306152 -0.058116
H -12.121638 1.328652 1.433013
H 0.223678 1.049346 0.840203
H 0.975676 -2.473427 -1.594371
H 2.654502 1.394404 1.100136
H 3.436158 -2.145265 -1.302267
H 4.570591 0.734118 2.087192
H 5.249379 -0.943208 -1.867328
H 7.015953 1.117810 2.343410
H 7.699255 -0.609347 -1.587891


