%chk=000012926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012926

0 1
 O    4.201600      0.3701000      -1.791700    
 O   -3.864400      0.4848000       1.799900    
 N    5.287100      -2.790500      0.8217000    
 N   -5.093200      -2.551600     -0.8959000    
 N    3.748600       1.749400      1.9800000E-02
 N   -3.344100       1.888000      2.5300000E-02
 C    5.220200      -4.141100      0.2786000    
 C    4.123100      -3.603600       1.150300    
 C   -6.519000      -2.463000      -1.183800    
 C   -5.964200      -3.593500     -0.3674000    
 C    4.956700      -1.805000     -0.2001000    
 C   -4.718300      -1.609900      0.1515000    
 C    4.517200     -0.4961000      0.4476000    
 C   -4.216800     -0.3066000     -0.4615000    
 C   0.9480000       2.891500      0.1895000    
 C  -0.5429000       2.969100     -0.1483000    
 C    1.855200       2.915100      -1.046200    
 C   -1.399800       2.934300       1.121800    
 C    4.147900      0.5595000     -0.5795000    
 C   -3.799800      0.7033000      0.5932000    
 C    3.351000       2.898700     -0.7453000    
 C   -2.893900       2.997100      0.8206000    
 H    5.027800      -4.271300     -0.7783000    
 H    5.907800      -4.854300      0.7140000    
 H    4.072500      -3.954300       2.172800    
 H    3.169100      -3.368200      0.6969000    
 H   -7.112900      -1.706900     -0.6873000    
 H   -6.802000      -2.670600      -2.207600    
 H   -5.874300      -4.562300     -0.8409000    
 H   -6.167100      -3.615200      0.6954000    
 H    5.854400      -1.618600     -0.8039000    
 H    4.184500      -2.137400     -0.9095000    
 H   -5.524200      -1.389800      0.8671000    
 H   -3.909000      -2.056700      0.7437000    
 H    3.640900     -0.6610000       1.086800    
 H    5.321800     -9.4599999E-02   1.076100    
 H   -3.351800     -0.4994000      -1.108300    
 H   -5.001300      0.1528000      -1.075600    
 H    1.135100       1.974200      0.7611000    
 H    1.214200       3.731900      0.8424000    
 H  -0.7467000       3.891500     -0.7051000    
 H  -0.8022000       2.129900     -0.8041000    
 H    1.631300       3.812100      -1.636500    
 H    1.606800       2.053400      -1.678600    
 H   -1.178100       2.018900       1.684500    
 H   -1.132500       3.780700       1.765700    
 H    3.916900       2.924300      -1.682900    
 H    3.626800       3.784700     -0.1635000    
 H   -3.132200       3.911800      0.2673000    
 H   -3.457200       3.019200       1.759900    
 H    3.728400       1.815800       1.033400    
 H   -3.321900       1.980700     -0.9862000    


%chk=000012926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012926

0 1
O 4.230800 0.184193 -1.641482
O -4.651606 1.295549 1.560457
N 5.526091 -3.031489 1.002332
N -5.325002 -2.284784 -0.831613
N 3.486414 1.297807 0.260826
N -3.702467 2.263290 -0.329755
C 6.516474 -4.052296 0.500865
C 5.026695 -4.251484 0.262101
C -6.771650 -2.603770 -0.530404
C -5.671341 -3.582764 -0.146314
C 5.472959 -1.756604 0.233286
C -4.710681 -1.243198 0.038677
C 4.101366 -1.086689 0.457646
C -4.943250 0.144587 -0.592558
C 0.769066 2.892076 0.231880
C -0.680300 3.078228 -0.271838
C 1.794609 2.762878 -0.915757
C -1.702582 3.234147 0.875148
C 3.949706 0.171186 -0.401652
C -4.422573 1.266332 0.310191
C 3.254523 2.574682 -0.438804
C -3.161615 3.427007 0.396970
H 7.131452 -3.793976 -0.372821
H 7.032153 -4.627596 1.275904
H 4.463083 -4.969977 0.865283
H 4.663991 -4.118273 -0.767220
H -7.261233 -2.057098 0.288290
H -7.402502 -2.798262 -1.403297
H -5.506292 -4.486955 -0.740180
H -5.443406 -3.681303 0.924470
H 6.280258 -1.103141 0.613773
H 5.629184 -1.889970 -0.862197
H -5.114658 -1.234988 1.077295
H -3.626719 -1.455507 0.098774
H 3.309270 -1.801325 0.159635
H 3.964916 -0.875861 1.534360
H -4.486127 0.174038 -1.598952
H -6.033261 0.292466 -0.724962
H 0.810137 1.987804 0.874110
H 1.044576 3.752480 0.878280
H -0.724901 3.970720 -0.932031
H -0.955256 2.205686 -0.899862
H 1.756405 3.674715 -1.546697
H 1.527385 1.911590 -1.571400
H -1.666308 2.349683 1.540296
H -1.427761 4.111304 1.496388
H 3.930647 2.580933 -1.311609
H 3.545469 3.403752 0.235168
H -3.233796 4.315567 -0.259766
H -3.816031 3.585007 1.271995
H 3.269114 1.227724 1.255634
H -3.520327 2.173180 -1.329962


