%chk=000057779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057779

0 1
 O  -0.8930000       2.320600       1.688000    
 O   -6.195000     -0.6052000      -1.611200    
 N    2.910300      -2.206900     -0.3492000    
 N  -0.5152000      5.6200001E-02   1.147000    
 N    4.494900       3.133600      -1.499600    
 C    1.337400      -1.543900       1.446700    
 C    2.180000      -2.662700      0.8273000    
 C   0.2728000     -0.9667000      0.5158000    
 C    4.085300      -1.426700      4.3299999E-02
 C    3.310800      -3.344000      -1.179900    
 C   -1.727200     -0.3876000       1.843900    
 C  -0.2238000       1.438400       1.151400    
 C   -2.913700     -0.4458000      0.9257000    
 C    4.819200     -0.8896000      -1.173700    
 C    4.261700      -4.262700     -0.4316000    
 C    1.000500       1.877600      0.4633000    
 C   -3.200500      -1.619800      0.2292000    
 C   -3.729600      0.6748000      0.7697000    
 C   0.9564000       2.220700     -0.8881000    
 C    2.205200       1.951400       1.162500    
 C   -4.303000      -1.673300     -0.6234000    
 C   -4.832100      0.6213000     -8.2999997E-02
 C   -5.118900     -0.5526000     -0.7795000    
 C    2.116900       2.637400      -1.540100    
 C    3.365800       2.368000      0.5105000    
 C    3.321600       2.711000     -0.8408000    
 C   -6.986700      0.5765000      -1.724200    
 H    1.979600     -0.7517000       1.840900    
 H   0.8359000      -1.961200       2.330300    
 H    1.485000      -3.469400      0.5582000    
 H    2.844200      -3.064400       1.603000    
 H   0.7530000     -0.5509000     -0.3746000    
 H  -0.3790000      -1.767900      0.1550000    
 H    3.759800     -0.5521000      0.6136000    
 H    4.777000      -1.961600      0.7037000    
 H    2.417500      -3.912100      -1.470800    
 H    3.749100      -3.024700      -2.131300    
 H   -1.941000      0.2983000       2.673200    
 H   -1.541800      -1.364900       2.306100    
 H    5.391800      -1.662600      -1.694900    
 H    4.132800     -0.4171000      -1.884800    
 H    5.538500     -0.1248000     -0.8596000    
 H    5.235400      -3.808500     -0.2286000    
 H    3.849200      -4.656800      0.5012000    
 H    4.466600      -5.136800      -1.061900    
 H   -2.582600      -2.505400      0.3484000    
 H   -3.522000       1.594600       1.309200    
 H   2.2900000E-02   2.166000      -1.442000    
 H    2.250400       1.692300       2.217100    
 H   -4.523100      -2.591400      -1.161400    
 H   -5.424100       1.527200     -0.1568000    
 H    2.069700       2.901600      -2.593500    
 H    4.298300       2.421300       1.066400    
 H    5.370100       3.179100     -0.9949000    
 H    4.464900       3.376500      -2.480800    
 H   -7.453000      0.8412000     -0.7692000    
 H   -6.412400       1.406400      -2.149900    
 H   -7.797900      0.3561000      -2.425800    


%chk=000057779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057779

0 1
O -0.172768 2.239541 2.603678
O -6.138804 -1.151373 -1.343139
N 2.691769 -2.295578 -0.416163
N -0.377115 0.304094 1.312471
N 4.527555 3.707387 -1.533873
C 1.038819 -1.784267 1.435387
C 1.763937 -2.863481 0.595794
C 0.266645 -0.785073 0.540162
C 3.914771 -1.704598 0.187252
C 2.937388 -3.207744 -1.563342
C -1.605731 -0.064290 2.063484
C 0.234231 1.525052 1.623510
C -2.790707 -0.334460 1.144850
C 4.748350 -0.873668 -0.806215
C 3.739102 -4.504380 -1.258802
C 1.364933 2.012224 0.761784
C -3.450625 -1.590404 1.142719
C -3.275558 0.675661 0.279234
C 1.332265 1.984213 -0.657784
C 2.460229 2.659152 1.392031
C -4.558691 -1.833869 0.308177
C -4.383963 0.452619 -0.566797
C -5.028690 -0.810726 -0.550791
C 2.366742 2.553272 -1.421703
C 3.512811 3.210604 0.643071
C 3.486800 3.162179 -0.782674
C -6.670926 -0.121714 -2.237351
H 1.760642 -1.222194 2.058742
H 0.353683 -2.301237 2.135656
H 1.003037 -3.457413 0.051037
H 2.279337 -3.569151 1.295608
H 0.978669 -0.378730 -0.189998
H -0.519861 -1.318366 -0.028661
H 3.589378 -1.033540 1.002863
H 4.562954 -2.485846 0.661635
H 1.949196 -3.482827 -1.980615
H 3.457978 -2.636779 -2.354032
H -1.806452 0.783362 2.743291
H -1.410104 -0.953598 2.694248
H 5.201060 -1.496452 -1.599058
H 4.115489 -0.102342 -1.279763
H 5.571066 -0.364396 -0.271561
H 4.754247 -4.276004 -0.886403
H 3.228349 -5.127128 -0.501799
H 3.846110 -5.109403 -2.178475
H -3.095628 -2.388655 1.806851
H -2.780385 1.653988 0.269971
H 0.469870 1.545639 -1.173109
H 2.462271 2.734542 2.484648
H -5.072979 -2.799810 0.304084
H -4.735408 1.258123 -1.218848
H 2.309591 2.535624 -2.517070
H 4.354668 3.694152 1.153943
H 5.314009 4.162265 -1.079828
H 4.502343 3.691035 -2.549075
H -7.021633 0.763141 -1.670844
H -5.917060 0.193785 -2.985326
H -7.522305 -0.595857 -2.747582


