%chk=000103125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103125

0 1
 O   -2.738100       1.691800     -0.4622000    
 O    2.780600       1.623900      0.5184000    
 O   -4.773900       2.535600      0.2035000    
 O    4.833400       2.487900     -6.3299999E-02
 O  -0.4081000      -4.198000      0.7595000    
 N   2.6900001E-02   2.157600      3.0400001E-02
 C  -0.7344000       2.930900     -0.9304000    
 C   0.7858000       2.851000       1.052200    
 C   1.8600000E-02  0.7481000     -2.0099999E-02
 C   -2.190300       3.003500     -0.5023000    
 C    2.247300       2.936000      0.6462000    
 C   0.4711000      8.8000000E-02  -1.162500    
 C  -0.4438000      1.4200000E-02   1.072300    
 C   0.4613000      -1.305900      -1.212700    
 C  -0.4535000      -1.379700       1.022200    
 C  -1.0000000E-03  -2.039800     -0.1203000    
 C   -4.045200       1.601200     -9.2000000E-02
 C    4.090700       1.543800      0.1568000    
 C   -4.493900      0.1859000     -8.8500001E-02
 C    4.523100      0.1269000      5.6899998E-02
 C  -1.2300000E-02  -3.493200     -0.1731000    
 C   -5.481500     -0.1986000      0.7952000    
 C    5.516400     -0.2057000     -0.8413000    
 C   -3.909200     -0.7011000     -0.9689000    
 C    3.917900     -0.8132000      0.8653000    
 C   -5.902700      -1.528400      0.7986000    
 C    5.922300      -1.536900     -0.9352000    
 C   -4.330400      -2.030800     -0.9657000    
 C    4.323900      -2.144500      0.7715000    
 C   -5.327100      -2.444400     -8.1799999E-02
 C    5.326000      -2.506200     -0.1288000    
 H  -0.3293000       3.946400      -1.014900    
 H  -0.6645000       2.486000      -1.930000    
 H   0.3923000       3.863200       1.204100    
 H   0.6991000       2.337900       2.017100    
 H   -2.271600       3.462400      0.4906000    
 H   -2.751300       3.610600      -1.222100    
 H    2.345300       3.463400     -0.3105000    
 H    2.806900       3.483400       1.413500    
 H   0.8463000      0.6432000      -2.018300    
 H  -0.8127000      0.5114000       1.965600    
 H   0.8202000      -1.805800      -2.108600    
 H  -0.8218000      -1.930800       1.883400    
 H   0.3572000      -3.957700      -1.103100    
 H   -5.934500      0.5045000       1.487800    
 H    5.985500      0.5395000      -1.476800    
 H   -3.140600     -0.4020000      -1.675100    
 H    3.144600     -0.5559000       1.582800    
 H   -6.678100      -1.850900       1.487300    
 H    6.701900      -1.818800      -1.636800    
 H   -3.883400      -2.743800      -1.652300    
 H    3.860800      -2.899200       1.400600    
 H   -5.654900      -3.479800     -7.9200000E-02
 H    5.642100      -3.542700     -0.2019000    


%chk=000103125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103125

0 1
O -2.958705 1.597231 -0.497099
O 2.989696 1.473573 0.622270
O -4.669088 3.152761 -0.210048
O 4.713252 3.027793 0.422851
O 0.755316 -5.206713 0.311646
N 0.009260 1.316424 0.039013
C -0.632632 2.172526 -0.974918
C 0.669671 2.036124 1.143500
C 0.005033 -0.083536 -0.050010
C -2.010592 2.731537 -0.593544
C 2.058810 2.607664 0.824607
C -0.838731 -0.768387 -0.986098
C 0.850988 -0.884089 0.792296
C -0.812648 -2.167161 -1.083419
C 0.850403 -2.279603 0.695777
C 0.026774 -2.954213 -0.249118
C -4.301092 1.953491 -0.267982
C 4.333716 1.830837 0.399659
C -5.181084 0.763424 -0.113765
C 5.197963 0.645876 0.149624
C 0.038892 -4.419643 -0.374583
C -6.580177 0.982852 -0.010019
C 6.597916 0.857879 0.040005
C -4.662097 -0.556908 -0.054222
C 4.664541 -0.662655 0.010401
C -7.454781 -0.111441 0.144117
C 7.458152 -0.232628 -0.198575
C -5.542534 -1.647549 0.104617
C 5.530351 -1.749693 -0.231322
C -6.937484 -1.428286 0.201092
C 6.926019 -1.537965 -0.333417
H 0.022187 3.048327 -1.160618
H -0.700450 1.631586 -1.932538
H 0.031887 2.896592 1.431162
H 0.727653 1.387170 2.032177
H -1.994998 3.263713 0.376266
H -2.367406 3.441934 -1.362819
H 2.056403 3.233720 -0.087424
H 2.421690 3.232563 1.662312
H -1.541440 -0.207622 -1.605988
H 1.540948 -0.404125 1.489912
H -1.465867 -2.665552 -1.812128
H 1.501452 -2.883252 1.338813
H -0.656866 -4.824115 -1.155928
H -6.955735 2.010652 -0.051446
H 6.985467 1.876748 0.144302
H -3.582129 -0.716579 -0.118733
H 3.584458 -0.817389 0.079603
H -8.534007 0.057860 0.221569
H 8.538054 -0.069357 -0.280006
H -5.142743 -2.665792 0.158445
H 5.118128 -2.758321 -0.341573
H -7.617690 -2.278522 0.324023
H 7.595296 -2.385358 -0.519619


