%chk=000005515.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005515

0 1
 O   -5.991600     -0.9765000      0.3216000    
 O   -4.356500       2.149400      0.6612000    
 O   -2.549200      -3.424600      5.7799999E-02
 O   -6.736300       1.048200      0.9417000    
 O    6.503200       1.590200      0.4207000    
 N   -1.162600      -1.575300      0.1192000    
 N   0.9821000       1.313100      0.1638000    
 N    6.508400     -0.8280000     -0.5181000    
 C   -4.574800      0.9801000     -0.1320000    
 C   -3.389600      6.1299998E-02 -1.9400001E-02
 C   -1.003000     -0.1994000      0.1012000    
 C   0.1444000      -2.259800      0.1971000    
 C   -3.571300      -1.271700     -1.8100001E-02
 C    1.100400      -1.113100      0.2199000    
 C   0.4215000      9.5700003E-02  0.1625000    
 C   -2.050000      0.6265000      3.0600000E-02
 C   -2.392000      -2.206000      5.7900000E-02
 C   -4.824400       1.403600      -1.581500    
 C   -4.936000      -1.864400     -0.1076000    
 C   -5.847500      0.3643000      0.4372000    
 C    2.473400      -1.090700      0.2849000    
 C    3.117700      0.1576000      0.2896000    
 C    2.329000       1.341500      0.2271000    
 C    4.517100      0.2466000      0.3548000    
 C   -5.999600       2.354800      -1.681500    
 C    5.375800     -0.9810000      0.4213000    
 C    2.989100       2.565800      0.2326000    
 C    5.146400       1.488300      0.3584000    
 C    4.382300       2.647300      0.2972000    
 C    6.005800     -0.6583000      -1.874700    
 C    7.387600      -1.985600     -0.4251000    
 H   0.2647000      -2.895000     -0.6855000    
 H   0.1766000      -2.857200       1.113000    
 H   -1.919500       1.702400      2.4000001E-03
 H   -5.008800      0.5338000      -2.223900    
 H   -3.940600       1.920900      -1.976400    
 H   -5.156100      -2.180000      -1.132800    
 H   -5.011100      -2.745400      0.5382000    
 H    2.975500      -2.046300      0.3450000    
 H   -6.952800       1.857900      -1.478900    
 H   -5.900600       3.217000      -1.015200    
 H   -6.064700       2.744600      -2.703800    
 H   -4.142500       1.868300       1.567700    
 H    5.751400      -1.071400       1.449100    
 H    4.870600      -1.917100      0.1834000    
 H    2.415700       3.490000      0.1856000    
 H    4.854300       3.626300      0.2987000    
 H    5.354200      -1.485400      -2.182300    
 H    6.844300     -0.6249000      -2.581400    
 H    5.467500      0.2805000      -2.034800    
 H    8.257100      -1.862000      -1.080400    
 H    6.882500      -2.918800     -0.7004000    
 H    7.778900      -2.093600      0.5927000    
 H    6.753000       2.530100      0.4096000    


%chk=000005515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005515

0 1
O -5.851327 -1.021316 0.494351
O -4.352085 2.362299 0.479877
O -2.352114 -3.340553 -0.305507
O -6.484110 0.982206 1.398152
O 6.688301 1.670310 0.882130
N -1.070331 -1.393385 -0.061302
N 1.100134 1.454500 0.348692
N 6.293408 -1.057362 -0.836052
C -4.581651 1.061829 -0.136617
C -3.310286 0.219313 -0.077667
C -0.920102 -0.009931 0.074231
C 0.223903 -2.128038 -0.027515
C -3.455709 -1.165218 -0.201176
C 1.222234 -1.003268 0.147115
C 0.518837 0.254624 0.203169
C -2.027690 0.827587 0.072062
C -2.310342 -2.068351 -0.199173
C -5.012819 1.276872 -1.630076
C -4.824875 -1.780967 -0.300345
C -5.711172 0.343191 0.648227
C 2.604205 -1.014652 0.250173
C 3.298770 0.239523 0.414715
C 2.484076 1.453610 0.456420
C 4.728240 0.329529 0.535087
C -6.319227 2.077316 -1.788819
C 5.657899 -0.875384 0.494379
C 3.124796 2.720873 0.614659
C 5.298639 1.605821 0.709867
C 4.508006 2.798038 0.743340
C 5.367470 -1.523848 -1.881578
C 7.528064 -1.860952 -0.764497
H 0.350558 -2.703603 -0.962929
H 0.215021 -2.857878 0.803042
H -1.922961 1.904159 0.204029
H -5.091532 0.299800 -2.144091
H -4.176017 1.823237 -2.104279
H -5.203202 -1.835087 -1.338963
H -4.829230 -2.796334 0.124081
H 3.166513 -1.951514 0.206693
H -7.190536 1.541327 -1.371356
H -6.240588 3.053201 -1.279898
H -6.519559 2.266482 -2.858413
H -5.121726 2.532583 1.093209
H 6.474172 -0.697867 1.216437
H 5.126551 -1.801157 0.831745
H 2.489901 3.610581 0.638066
H 4.997887 3.771369 0.876489
H 4.957597 -2.550659 -1.687299
H 5.891974 -1.549428 -2.853340
H 4.517500 -0.826598 -1.975051
H 8.009930 -1.884074 -1.758375
H 7.358478 -2.921234 -0.443269
H 8.232923 -1.394081 -0.054250
H 6.992605 2.607161 0.971300


