%chk=000017750.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017750

0 1
 O    5.622900       1.462900      2.1199999E-02
 O   -5.617000      -1.451100      3.4100000E-02
 N    6.805200     -0.5504000      4.3099999E-02
 N   -6.795900      0.5642000      4.3499999E-02
 C    7.922600     -0.2866000     -0.8148000    
 C    8.028700     -0.1132000      0.6479000    
 C   -7.930700      0.2870000     -0.7868000    
 C   -8.007700      0.1401000      0.6805000    
 C   0.6413000      0.3897000      3.9299998E-02
 C  -0.6572000     -0.4178000     -3.8999999E-03
 C    1.867400     -0.5255000      1.9500000E-02
 C   -1.881600      0.4991000     -1.7600000E-02
 C    3.165900      0.2871000      2.9600000E-02
 C   -3.180400     -0.3071000     -2.7100001E-02
 C    4.409000     -0.5969000      4.1000001E-02
 C   -4.400200      0.6066000     -7.3000002E-03
 C    5.663000      0.2349000      3.2900002E-02
 C   -5.655200     -0.2231000      2.4700001E-02
 H    8.330300      -1.176900      -1.270300    
 H    7.826500      0.5863000      -1.444300    
 H    8.014800      0.8840000       1.063300    
 H    8.512500     -0.8802000       1.234600    
 H   -8.346300       1.169700      -1.250000    
 H   -7.848500     -0.5972000      -1.402300    
 H   -7.986900     -0.8496000       1.113300    
 H   -8.478600      0.9183000       1.262900    
 H   0.6593000       1.010400      0.9433000    
 H   0.6781000       1.069500     -0.8207000    
 H  -0.6666000      -1.053900     -0.8973000    
 H  -0.7032000      -1.082600      0.8672000    
 H    1.843700      -1.190900      0.8909000    
 H    1.841600      -1.160400     -0.8743000    
 H   -1.860800       1.149900      0.8651000    
 H   -1.845400       1.149500     -0.8999000    
 H    3.174200      0.9433000      0.9094000    
 H    3.186300      0.9425000     -0.8506000    
 H   -3.205700     -0.9480000     -0.9177000    
 H   -3.197800     -0.9732000      0.8450000    
 H    4.417300      -1.249600     -0.8395000    
 H    4.414800      -1.230900      0.9351000    
 H   -4.418400       1.243400     -0.8990000    
 H   -4.383400       1.252200      0.8781000    


%chk=000017750-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017750

0 1
O 5.858760 1.368120 1.155924
O -5.859506 -1.380053 1.143704
N 6.934122 -0.370304 0.039303
N -6.935987 0.369066 0.044745
C 7.318960 -0.781435 -1.331689
C 8.144560 0.244537 -0.529601
C -7.324363 0.789209 -1.322720
C -8.148747 -0.240879 -0.524871
C 0.654166 0.406470 0.362589
C -0.654848 -0.414441 0.362760
C 1.925583 -0.471870 0.368650
C -1.926239 0.463943 0.367520
C 3.229371 0.355606 0.369709
C -3.230083 -0.363452 0.368721
C 4.491569 -0.532404 0.372340
C -4.492060 0.524672 0.370303
C 5.785622 0.269505 0.534005
C -5.786652 -0.276716 0.530256
H 7.693889 -1.803719 -1.449709
H 6.720744 -0.401826 -2.170114
H 8.079320 1.300626 -0.817582
H 9.097701 -0.062092 -0.087211
H -7.698467 1.812632 -1.433172
H -6.728858 0.414306 -2.165183
H -8.085406 -1.295212 -0.819613
H -9.100280 0.063954 -0.077821
H 0.668899 1.074741 1.248520
H 0.671104 1.070623 -0.527002
H -0.671500 -1.079456 -0.526187
H -0.669890 -1.081853 1.249333
H 1.908726 -1.131161 1.261973
H 1.909054 -1.145285 -0.514380
H -1.909679 1.124046 1.260253
H -1.909292 1.136567 -0.516112
H 3.262119 1.017792 1.254806
H 3.247499 1.023167 -0.515255
H -3.248072 -1.031631 -0.515748
H -3.263059 -1.025178 1.254150
H 4.546073 -1.157556 -0.540086
H 4.440916 -1.240515 1.225511
H -4.545538 1.149875 -0.542208
H -4.442331 1.233077 1.223286


