%chk=000048973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048973

0 1
 O    1.008200       1.128700      0.4721000    
 O    1.736200       1.930400      -1.549500    
 N   -2.204700     -0.1837000      0.5331000    
 C   -2.529500      -1.628300      0.5457000    
 C   -4.215900      0.3178000     -0.8542000    
 C   -3.425800      0.6360000      0.4233000    
 C   -3.305800      -2.011500     -0.7294000    
 C   -4.563900      -1.170000     -0.9042000    
 C   -1.451800      0.2329000       1.720000    
 C   -1.279700      -2.516200      0.6288000    
 C   -5.480500       1.170800     -0.9371000    
 C   -1.031000       1.693600       1.594300    
 C  -0.1657000       1.921700      0.3623000    
 C    1.903300       1.217700     -0.5651000    
 C    3.065900      0.3579000     -0.3382000    
 C    3.739200     -0.1893000      -1.424400    
 C    3.485700      9.7199999E-02  0.9612000    
 C    4.847200      -1.008600      -1.208300    
 C    4.593800     -0.7221000       1.177200    
 C    5.274500      -1.274900      9.2500001E-02
 H   -3.162000      -1.854600       1.415500    
 H   -3.588800      0.5594000      -1.723500    
 H   -3.195100       1.701700      0.3513000    
 H   -4.064500      0.4977000       1.306500    
 H   -3.589800      -3.070300     -0.6919000    
 H   -2.662600      -1.887200      -1.610900    
 H   -5.043400      -1.417100      -1.858500    
 H   -5.280700      -1.418500     -0.1112000    
 H   -2.045700      9.7900003E-02   2.633100    
 H  -0.5424000     -0.3629000       1.844900    
 H   -1.540400      -3.568400      0.4675000    
 H  -0.5399000      -2.236800     -0.1296000    
 H  -0.8046000      -2.461800       1.613000    
 H   -5.231200       2.237100     -0.9371000    
 H   -6.032900      0.9564000      -1.858000    
 H   -6.147400      0.9790000     -8.9800000E-02
 H   -1.865900       2.398300       1.629600    
 H  -0.4254000       1.924900       2.481500    
 H   0.1238000       2.978800      0.3269000    
 H  -0.7015000       1.682100     -0.5627000    
 H    3.416400      6.8999999E-03  -2.443300    
 H    2.982100      0.5241000       1.824200    
 H    5.377100      -1.439700      -2.052700    
 H    4.928600     -0.9275000       2.189800    
 H    6.137600      -1.912300      0.2607000    


%chk=000048973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048973

0 1
O 1.138606 1.144956 0.353804
O 1.937650 1.581309 -1.791513
N -2.375569 0.024059 0.535478
C -2.425860 -1.470914 0.430006
C -4.587588 0.291661 -0.647051
C -3.741064 0.608153 0.604532
C -3.243254 -1.857315 -0.828994
C -4.656957 -1.241971 -0.829734
C -1.509657 0.556411 1.619706
C -1.021067 -2.105571 0.345474
C -5.989435 0.926659 -0.542375
C -0.950536 1.962022 1.290365
C -0.072597 1.967035 0.040744
C 2.071819 1.017268 -0.675731
C 3.221726 0.144022 -0.292464
C 4.250052 -0.057502 -1.249490
C 3.305561 -0.483312 0.977757
C 5.352413 -0.879899 -0.939354
C 4.410471 -1.305936 1.283853
C 5.434672 -1.505992 0.327659
H -2.958583 -1.897373 1.323913
H -4.057493 0.721435 -1.521831
H -3.650147 1.704883 0.715517
H -4.290201 0.233395 1.511277
H -3.307761 -2.961494 -0.883230
H -2.682930 -1.511598 -1.720546
H -5.187396 -1.493881 -1.768836
H -5.252523 -1.675204 0.002390
H -2.050839 0.597576 2.598030
H -0.648987 -0.116312 1.754000
H -1.113438 -3.161235 0.031471
H -0.405387 -1.574336 -0.403077
H -0.479466 -2.099432 1.307361
H -5.931145 2.027089 -0.442235
H -6.593173 0.701454 -1.441148
H -6.536814 0.534644 0.336858
H -1.777062 2.680174 1.124011
H -0.370614 2.334565 2.156882
H 0.261766 2.980894 -0.243207
H -0.596625 1.500140 -0.811432
H 4.162171 0.436511 -2.222834
H 2.507499 -0.318819 1.707140
H 6.144556 -1.034451 -1.679968
H 4.474994 -1.790635 2.264181
H 6.291317 -2.145833 0.568042


