%chk=000004603.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004603

0 1
 O  -0.8446000       1.232000      0.2026000    
 O    3.577600      0.1201000      0.1468000    
 O    3.866000      -2.090800     -0.4763000    
 O   -3.510500     -0.9530000       1.740700    
 N   -2.545500      -1.141700     -0.3687000    
 N   -1.140300      -3.622900      0.1972000    
 C   -1.158100      -1.146500      5.0299998E-02
 C  -0.4558000      -2.454400     -0.3629000    
 C  -0.4388000      8.1900001E-02 -0.5418000    
 C    1.015400      -2.450300      9.0300001E-02
 C    1.061000     -1.7300000E-02 -0.5061000    
 C    1.704700      -1.154900     -0.2109000    
 C  -0.8449000       2.396700     -0.6077000    
 C  -0.5021000       3.602600      0.2743000    
 C   -2.220500       2.576500      -1.260500    
 C    3.169600      -1.125700     -0.2036000    
 C   -3.600300      -1.044900      0.5192000    
 C   0.8596000       3.462700      0.9423000    
 C   -3.343900       2.720000     -0.2422000    
 C   -4.932300      -1.037500     -0.1819000    
 C    4.995500      0.3089000      0.1983000    
 C    5.288300       1.738600      0.6007000    
 H   -1.137300      -1.066400       1.146400    
 H  -0.4890000      -2.544000      -1.457600    
 H  -0.7379000      0.1800000      -1.595100    
 H    1.081200      -2.627300       1.172300    
 H    1.535100      -3.282300     -0.4013000    
 H    1.600100      0.8858000     -0.7773000    
 H  -8.6999997E-02   2.339000      -1.400100    
 H   -2.741100      -1.209800      -1.363500    
 H  -0.6916000      -4.474800     -0.1368000    
 H   -2.100900      -3.649500     -0.1423000    
 H   -1.233400       3.713300       1.082400    
 H  -0.5217000       4.522100     -0.3218000    
 H   -2.213400       3.452600      -1.919100    
 H   -2.445200       1.705700      -1.887000    
 H   0.8914000       2.599400       1.614400    
 H    1.080800       4.355800       1.535600    
 H    1.652000       3.349200      0.1958000    
 H   -4.311700       2.676100     -0.7532000    
 H   -3.300100       3.683000      0.2747000    
 H   -3.326900       1.922500      0.5054000    
 H   -5.033900      -1.934500     -0.7993000    
 H   -5.738500      -1.023900      0.5567000    
 H   -5.011700     -0.1484000     -0.8137000    
 H    5.426700      0.1061000     -0.7884000    
 H    5.428900     -0.3790000      0.9329000    
 H    4.844100       2.438600     -0.1147000    
 H    4.847600       1.961600       1.577900    
 H    6.365900       1.918800      0.6493000    


%chk=000004603-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004603

0 1
O -0.913286 1.233473 0.271030
O 3.805366 0.109698 -0.015781
O 3.886121 -2.172803 0.454428
O -3.638015 -0.896856 1.529108
N -2.553365 -1.228061 -0.513753
N -1.127156 -3.636321 0.153237
C -1.176479 -1.175943 0.007941
C -0.392651 -2.470512 -0.347510
C -0.437311 0.079004 -0.521682
C 1.011018 -2.429766 0.297507
C 1.068579 -0.007322 -0.389976
C 1.734527 -1.131347 0.000827
C -0.967403 2.528390 -0.464997
C -0.705698 3.626050 0.582829
C -2.323967 2.659041 -1.198549
C 3.214986 -1.146242 0.169967
C -3.688877 -1.048384 0.274688
C 0.749200 3.633614 1.093973
C -3.542868 2.717550 -0.252598
C -5.010913 -1.038546 -0.493364
C 5.288088 0.160769 0.157284
C 5.703272 1.615230 -0.039072
H -1.265734 -1.096962 1.106729
H -0.249997 -2.478247 -1.463254
H -0.705292 0.235244 -1.593711
H 0.890267 -2.560799 1.390831
H 1.624461 -3.284019 -0.045358
H 1.629066 0.914036 -0.586930
H -0.146895 2.547558 -1.219105
H -2.672957 -1.305171 -1.526861
H -0.689433 -4.541726 -0.030362
H -2.134753 -3.618047 -0.020975
H -1.397033 3.466224 1.430829
H -0.961066 4.607922 0.135953
H -2.289644 3.564241 -1.839177
H -2.433657 1.794791 -1.886387
H 1.006129 2.653476 1.531928
H 0.894321 4.406050 1.870900
H 1.463067 3.842536 0.273504
H -4.487483 2.669136 -0.825463
H -3.558124 3.654819 0.331940
H -3.517597 1.874772 0.460125
H -4.920777 -1.374952 -1.541623
H -5.735052 -1.683785 0.030776
H -5.420324 -0.012466 -0.486214
H 5.749792 -0.516724 -0.584148
H 5.533638 -0.218367 1.165824
H 5.435536 1.970122 -1.049163
H 5.211473 2.267978 0.702380
H 6.797502 1.711444 0.084175


