%chk=000012940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012940

0 1
 O  -6.3000001E-02   1.985700     -0.5949000    
 O   -2.138000      -1.714200       1.316900    
 O    2.418000      -1.653200      0.9099000    
 N   -1.160900      0.1262000      0.2633000    
 N    1.218500      0.1632000      6.3600004E-02
 C   -2.409900      0.8484000      0.2350000    
 C    2.419600      0.9270000     -0.1737000    
 C   -2.332800       2.098600       1.115300    
 C   -2.792000       1.203000      -1.204100    
 C    3.202900       1.123200       1.126900    
 C    3.280000      0.2543000      -1.246100    
 C   9.1300003E-02  -1.954300      0.5242000    
 C   -3.626200       2.907300       1.057300    
 C   -4.084000       2.014200      -1.259500    
 C    4.505600       1.882600      0.8895000    
 C    4.583400       1.013800      -1.479800    
 C   -4.006400       3.257800     -0.3785000    
 C    5.360700       1.211500     -0.1815000    
 C  -7.7999998E-03  0.8377000     -0.1402000    
 C   -1.174600      -1.178300      0.7671000    
 C    1.357900      -1.142200      0.5455000    
 C  -1.5799999E-02  -2.677400     -0.8164000    
 C   -1.140900      -3.722500     -0.8569000    
 C  -0.9899000      -4.787100      0.2306000    
 C   -2.495800      -3.025300     -0.7135000    
 H   -3.213200      0.2164000      0.6342000    
 H    2.171000       1.927200     -0.5485000    
 H   -1.521800       2.781600      0.8541000    
 H   -2.144900       1.800100       2.154700    
 H   -2.922800      0.2843000      -1.789000    
 H   -2.021100       1.776900      -1.725700    
 H    3.465200      0.1863000       1.623800    
 H    2.587700       1.680800       1.844600    
 H    2.719800      0.2005000      -2.188200    
 H    3.536400     -0.7784000     -0.9888000    
 H   0.1933000      -2.663000       1.354800    
 H   -3.516000       3.825400       1.645600    
 H   -4.437600       2.330300       1.518200    
 H   -4.922100       1.387000     -0.9313000    
 H   -4.293000       2.307100      -2.294700    
 H    5.071200       1.949600       1.825800    
 H    4.277300       2.910700      0.5821000    
 H    4.360700       1.991900      -1.923700    
 H    5.203100      0.4707000      -2.202200    
 H   -4.971100       3.777500     -0.3882000    
 H   -3.264700       3.951900     -0.7926000    
 H    6.252900       1.817600     -0.3745000    
 H    5.708300      0.2384000      0.1868000    
 H  -0.1611000      -1.956800      -1.632800    
 H   0.9349000      -3.183100      -1.033400    
 H   -1.096000      -4.216700      -1.835800    
 H   -1.158600      -4.394600       1.237700    
 H   8.7000001E-03  -5.235200      0.1992000    
 H   -1.718100      -5.590500      7.2200000E-02
 H   -3.031100      -3.243700      0.2136000    
 H   -3.154600      -3.520200      -1.446000    
 H   -2.533000      -1.988000      -1.050100    


%chk=000012940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012940

0 1
O 0.068177 1.872173 -0.737899
O -2.171000 -1.545960 1.535802
O 2.443261 -1.766721 1.014017
N -1.121731 0.160316 0.322156
N 1.304367 0.070952 0.107648
C -2.398065 0.966527 0.305040
C 2.575171 0.836410 -0.171545
C -2.292201 2.265784 1.137956
C -2.902104 1.228492 -1.135438
C 3.323487 1.202246 1.134581
C 3.490690 0.102507 -1.180067
C 0.050374 -2.006306 0.640736
C -3.664545 2.983837 1.168456
C -4.269306 1.955784 -1.087167
C 4.559079 2.074938 0.803439
C 4.722910 0.985357 -1.498945
C -4.186063 3.262060 -0.261982
C 5.491454 1.370624 -0.211536
C 0.073872 0.751809 -0.160190
C -1.163259 -1.134986 0.898118
C 1.363248 -1.230641 0.644329
C -0.012704 -2.772937 -0.738220
C -1.150124 -3.819393 -0.936959
C -1.320384 -4.755257 0.283660
C -2.502635 -3.197285 -1.365562
H -3.123141 0.300859 0.810644
H 2.226354 1.771907 -0.644847
H -1.535417 2.935713 0.692842
H -1.966909 2.019705 2.167203
H -2.999177 0.266181 -1.675150
H -2.167264 1.848891 -1.677856
H 3.642640 0.277430 1.647335
H 2.640972 1.748431 1.814220
H 2.924789 -0.113539 -2.106990
H 3.823500 -0.860294 -0.753038
H 0.105116 -2.753908 1.447645
H -3.573016 3.929614 1.735899
H -4.401255 2.354824 1.709814
H -5.031047 1.287009 -0.635165
H -4.607004 2.173491 -2.118528
H 5.109262 2.305416 1.735721
H 4.225072 3.044931 0.379563
H 4.392381 1.909968 -2.016456
H 5.390947 0.447857 -2.198868
H -5.180211 3.747117 -0.217175
H -3.501520 3.972136 -0.769344
H 6.347388 2.026756 -0.461762
H 5.910610 0.454177 0.251855
H -0.048011 -2.032150 -1.562111
H 0.959971 -3.297623 -0.813555
H -0.800894 -4.444051 -1.787597
H -1.746966 -4.208877 1.144040
H -0.355001 -5.199360 0.593311
H -2.008698 -5.584980 0.039010
H -2.962623 -2.616712 -0.548715
H -3.215256 -3.994834 -1.647100
H -2.377959 -2.534415 -2.243371


