%chk=000087107.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087107

0 1
 O    1.843500      -1.633100      0.5654000    
 O   -2.429100      -3.605400      0.1207000    
 O   -1.367700       2.318700      0.2072000    
 O   -4.462200      -2.025900     -0.1052000    
 O    3.888400     -0.4381000     -0.9286000    
 N   0.8057000      0.9161000      0.4423000    
 C   -1.454100     -5.0900001E-02  0.2073000    
 C   -2.266100      -1.184100      0.1258000    
 C   -3.507800       1.437000     -1.7999999E-02
 C   -4.319900      0.3037000     -9.9500000E-02
 C  -6.9200002E-02 -0.1935000      0.3552000    
 C   -2.045200       1.300900      0.1381000    
 C   -3.728600      -1.048200     -3.0300001E-02
 C   -1.693200      -2.459900      0.1927000    
 C   0.4975000      -1.466800      0.4213000    
 C  -0.3128000      -2.597500      0.3403000    
 C   -4.080600       2.712800     -8.4799998E-02
 C   -5.704800      0.4462000     -0.2477000    
 C   -5.461100       2.850300     -0.2329000    
 C   -6.271400       1.719400     -0.3141000    
 C    2.520700      -2.347600     -0.4655000    
 C    3.936700      -1.818000     -0.5865000    
 C    4.911400      0.3480000     -0.4677000    
 C    6.173300     -0.2045000     -0.2800000    
 C    4.676900       1.690200     -0.1918000    
 C    7.214500      0.5959000      0.1898000    
 C    5.718300       2.490700      0.2780000    
 C    6.987100       1.943600      0.4687000    
 H   0.1321000      -3.587900      0.4021000    
 H   -3.473000       3.611600     -2.4200000E-02
 H   -6.359600     -0.4185000     -0.3136000    
 H   -5.904900       3.840300     -0.2848000    
 H   -7.345900       1.829300     -0.4293000    
 H    2.537200      -3.413400     -0.2137000    
 H    2.003700      -2.212500      -1.424400    
 H    1.798200      0.7578000      0.5583000    
 H   0.4549000       1.862000      0.4017000    
 H    4.423600      -1.971100      0.3854000    
 H    4.477400      -2.367900      -1.364300    
 H   -1.840600      -4.376800      0.1855000    
 H    6.399600      -1.240400     -0.5134000    
 H    3.691500       2.121700     -0.3409000    
 H    8.204400      0.1721000      0.3320000    
 H    5.541300       3.540200      0.4942000    
 H    7.798300       2.567300      0.8327000    


%chk=000087107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087107

0 1
O 1.669064 -0.790211 0.309274
O -2.282057 -3.219741 -1.302380
O -2.159493 2.367895 1.250873
O -4.628526 -2.040253 -1.013226
O 4.407176 -0.414372 -0.712993
N 0.173446 1.273233 1.028085
C -1.905603 0.157978 0.288975
C -2.539908 -1.002902 -0.311452
C -4.173921 1.284613 0.525784
C -4.803146 0.150837 -0.055713
C -0.482308 0.204342 0.475253
C -2.702059 1.320274 0.716469
C -4.015942 -1.046837 -0.500141
C -1.715872 -2.086163 -0.713381
C 0.301502 -0.933903 0.059345
C -0.301687 -2.045208 -0.525398
C -4.955603 2.397372 0.932004
C -6.210789 0.142448 -0.224278
C -6.351979 2.381116 0.760297
C -6.982072 1.248581 0.179827
C 2.573088 -1.860559 -0.137182
C 3.989988 -1.455267 0.228661
C 5.693751 0.137456 -0.543823
C 6.611323 -0.268460 0.456390
C 6.037495 1.156331 -1.465787
C 7.878862 0.357391 0.522650
C 7.303572 1.768337 -1.385541
C 8.232862 1.373127 -0.391087
H 0.300956 -2.902422 -0.847102
H -4.439594 3.253786 1.376402
H -6.665981 -0.745178 -0.674584
H -6.953579 3.241130 1.074143
H -8.069428 1.236571 0.046722
H 2.308759 -2.806075 0.379574
H 2.482781 -1.995619 -1.232677
H 1.188913 1.247028 1.100157
H -0.418446 2.071718 1.311365
H 4.021743 -1.078848 1.270946
H 4.657254 -2.338775 0.143751
H -1.573632 -3.875212 -1.533309
H 6.361584 -1.053304 1.176857
H 5.305634 1.448687 -2.225031
H 8.588951 0.044488 1.296376
H 7.565672 2.556473 -2.099911
H 9.215647 1.851898 -0.331684


