%chk=000002405.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002405

0 1
 O    3.249800       1.340400     -0.3472000    
 O    5.941400      0.6481000     -0.2638000    
 O   -2.981600       1.389000      0.2464000    
 O   -4.839600     -0.6608000     -0.1720000    
 N    3.554000      -2.013300      0.6994000    
 C    4.547000      -1.296500     -8.9199997E-02
 C    5.001600     -4.8000002E-03  0.5945000    
 C    3.097500      -3.207300      1.3000000E-03
 C    3.855400      0.9615000      0.8849000    
 C    2.098600      -3.956900      0.8770000    
 C    2.475600      -2.830400      -1.340400    
 C    1.911900       1.629800     -0.3119000    
 C  -0.8061000       2.216900     -0.2409000    
 C   -2.263100       2.531400     -0.2027000    
 C   -5.484800      -1.867200      0.2110000    
 C    1.126700       1.396700      -1.436000    
 C    1.350100       2.153900      0.8475000    
 C   -4.379000       1.640700      0.2995000    
 C   -5.090900      0.3835000      0.7606000    
 C  -0.2362000       1.691300      -1.400400    
 C  -1.3000000E-02   2.448300      0.8831000    
 C   -5.129400      -2.962700     -0.7827000    
 C   -6.985900      -1.631500      0.2819000    
 H    5.424700      -1.931900     -0.2656000    
 H    4.174400      -1.012800      -1.078700    
 H    5.517800     -0.2376000       1.533400    
 H    3.945200      -3.880900     -0.1790000    
 H    3.950800      -2.266200       1.603900    
 H    4.256200       1.868300       1.353300    
 H    3.152100      0.4797000       1.574900    
 H    1.214000      -3.345900       1.089800    
 H    1.761500      -4.874700      0.3830000    
 H    2.549800      -4.243900       1.833400    
 H    3.225200      -2.557200      -2.089400    
 H    1.758800      -2.007100      -1.241400    
 H    1.929400      -3.684300      -1.758500    
 H    6.685700      3.7400000E-02 -0.4012000    
 H   -2.450200       3.378100      0.4697000    
 H   -2.612800       2.824400      -1.200800    
 H   -5.114500      -2.176200       1.196700    
 H    1.566500      0.9854000      -2.340100    
 H    1.937100       2.378300       1.732900    
 H   -4.717000      8.3700001E-02   1.746300    
 H   -6.154300      0.6275000      0.8251000    
 H   -4.582500       2.462200      0.9952000    
 H   -4.729400       1.917400     -0.7018000    
 H  -0.8439000       1.504000      -2.281700    
 H  -0.4448000       2.862100       1.790600    
 H   -5.458000      -2.694500      -1.792800    
 H   -4.043200      -3.096000     -0.8306000    
 H   -5.586500      -3.917600     -0.5065000    
 H   -7.345000      -1.057600     -0.5793000    
 H   -7.273700      -1.091900       1.189900    
 H   -7.527400      -2.583500      0.3107000    


%chk=000002405-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002405

0 1
O 2.665561 0.250089 -0.700123
O 5.257358 0.544096 -2.053277
O -3.455748 1.212286 0.827921
O -5.837193 0.240240 -0.743534
N 4.968265 -2.051660 0.686559
C 4.923130 -1.522537 -0.688377
C 5.088842 0.015683 -0.690034
C 4.227948 -3.318754 0.947591
C 3.898484 0.742461 -0.069452
C 4.750689 -3.931554 2.262915
C 2.708793 -3.051404 1.027782
C 1.451396 0.797949 -0.264004
C -1.120092 1.766622 0.467783
C -2.487542 2.318583 0.811531
C -6.244802 -1.134269 -1.106578
C 0.290058 0.298213 -0.908064
C 1.328928 1.778189 0.751535
C -4.840377 1.680531 0.923685
C -5.760049 0.487497 0.698740
C -0.978960 0.780665 -0.545060
C 0.042957 2.246987 1.108674
C -5.965626 -1.257230 -2.609278
C -7.722046 -1.404573 -0.752800
H 5.710438 -1.964014 -1.353272
H 3.946558 -1.760289 -1.140193
H 5.982093 0.277968 -0.075843
H 4.409317 -4.057565 0.126899
H 5.927698 -2.093957 1.054280
H 4.002430 1.831742 -0.242546
H 3.877380 0.523828 1.016149
H 4.618220 -3.213975 3.093947
H 4.196725 -4.854060 2.510230
H 5.825435 -4.189468 2.191804
H 2.337559 -2.528241 0.129044
H 2.484256 -2.411730 1.900284
H 2.151844 -4.001686 1.127912
H 5.858409 -0.059501 -2.559961
H -2.465454 2.833449 1.798077
H -2.812583 3.064934 0.049051
H -5.596628 -1.847430 -0.546418
H 0.410136 -0.460111 -1.688328
H 2.208613 2.172046 1.268372
H -5.346262 -0.396384 1.231043
H -6.768719 0.709964 1.109921
H -5.027049 2.122802 1.928798
H -5.048754 2.454332 0.152491
H -1.880152 0.387275 -1.026371
H -0.045120 2.998943 1.903218
H -6.582359 -0.533961 -3.172295
H -4.903941 -1.041875 -2.818041
H -6.200663 -2.275902 -2.967408
H -8.375294 -0.680953 -1.273393
H -7.905064 -1.320414 0.333978
H -8.013042 -2.425079 -1.064265


