%chk=000121141.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121141

1 1
 O    3.600700      -3.680800      0.4712000    
 O   -1.639000       2.188800      -1.800400    
 O    5.122500       2.616600     -6.1700001E-02
 O    4.236600       3.370300       1.800000    
 N   0.9205000      -2.828800     -0.1845000    
 N   -1.465500      3.3399999E-02 -0.8589000    
 N    4.127200       2.833100      0.6712000    
 C    1.837600      -2.042400      0.7591000    
 C    1.775800      -3.686300      -1.124300    
 C   0.1200000      -1.831700      -1.028500    
 C  -8.2999997E-02  -3.679900      0.5911000    
 C    2.832400      -2.969900       1.439200    
 C    2.774400      -4.518000     -0.3342000    
 C  -0.7277000     -0.9571000     -0.1235000    
 C   -2.801800     -0.3554000      -1.321400    
 C   -1.014900       1.335300      -1.170800    
 C   -3.862900     -2.9700000E-02 -0.3104000    
 C   0.3207000       1.726100     -0.6926000    
 C   -4.205900     -0.9701000      0.6539000    
 C   -4.492500       1.209000     -0.3491000    
 C    1.425700       1.492200      -1.496300    
 C   0.4507000       2.319700      0.5535000    
 C   -5.192100     -0.6678000       1.592900    
 C   -5.478600       1.511500      0.5899000    
 C    2.692200       1.861000      -1.042600    
 C    1.717200       2.688500       1.007100    
 C   -5.828400      0.5731000       1.560800    
 C    2.837900       2.459300      0.2091000    
 H    1.238100      -1.548200       1.527400    
 H    2.366100      -1.301600      0.1486000    
 H    2.309000      -2.991700      -1.784000    
 H    1.101800      -4.311900      -1.719000    
 H   0.8339000      -1.248700      -1.617900    
 H  -0.4983000      -2.409000      -1.726700    
 H  -0.8632000      -4.020900     -9.5899999E-02
 H  -0.5007000      -3.100400       1.418000    
 H   0.4291000      -4.546600       1.013000    
 H    2.343400      -3.679000       2.116600    
 H    3.529400      -2.378100       2.041700    
 H    3.431700      -5.046500      -1.032700    
 H    2.300600      -5.283100      0.2889000    
 H  -0.1231000     -0.4217000      0.6073000    
 H   -1.449000      -1.538400      0.4522000    
 H   -3.022100      0.1641000      -2.262600    
 H   -2.805200      -1.425100      -1.564900    
 H   -3.728000      -1.945000      0.6851000    
 H   -4.236900       1.947500      -1.103000    
 H    1.320400       1.032400      -2.474900    
 H  -0.4177000       2.500300       1.181000    
 H   -5.466500      -1.399400       2.347300    
 H   -5.975400       2.477000      0.5640000    
 H    3.542400       1.667300      -1.691600    
 H    1.792600       3.151400       1.987700    
 H   -6.597000      0.8082000       2.291200    


%chk=000121141-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121141

1 1
O 2.520296 -4.659721 0.697527
O -0.926878 2.110605 -2.802498
O 5.430571 4.184381 -0.629783
O 4.558032 4.294472 1.478105
N 0.296600 -2.743217 0.282479
N -1.111266 0.620068 -1.028921
N 4.485631 3.999240 0.224980
C 1.679780 -2.345302 0.853062
C 0.466374 -4.052671 -0.537833
C -0.203406 -1.652347 -0.695775
C -0.730543 -2.952448 1.397664
C 2.350792 -3.512314 1.593226
C 1.213825 -5.144420 0.246004
C -0.462181 -0.266383 -0.049283
C -2.476477 0.255976 -1.532946
C -0.437862 1.638771 -1.733836
C -3.371324 -0.334285 -0.454245
C 0.850498 2.190310 -1.173611
C -3.960201 -1.611825 -0.635242
C -3.662996 0.391887 0.730532
C 1.914437 2.441401 -2.078376
C 0.974930 2.588004 0.185419
C -4.820280 -2.158141 0.347372
C -4.514316 -0.153651 1.716488
C 3.112004 3.029880 -1.628172
C 2.159149 3.195094 0.646469
C -5.092866 -1.432782 1.529932
C 3.217302 3.386049 -0.266813
H 1.537293 -1.475763 1.515389
H 2.296563 -2.050492 -0.013076
H 1.046458 -3.778349 -1.435012
H -0.542756 -4.383014 -0.839624
H 0.554582 -1.566358 -1.494243
H -1.137447 -2.048322 -1.129364
H -1.737880 -2.977847 0.952547
H -0.668293 -2.123089 2.116483
H -0.525324 -3.897298 1.918492
H 1.792240 -3.804476 2.507040
H 3.366258 -3.208927 1.892735
H 1.419916 -5.987279 -0.432597
H 0.622542 -5.530233 1.102292
H 0.486742 0.192070 0.265290
H -1.115104 -0.367967 0.835638
H -2.899976 1.188762 -1.945359
H -2.396167 -0.438485 -2.393336
H -3.788484 -2.160845 -1.571056
H -3.243443 1.396664 0.865993
H 1.783215 2.194059 -3.136338
H 0.128257 2.470391 0.871311
H -5.294200 -3.131484 0.179988
H -4.745467 0.423989 2.617849
H 3.948699 3.227138 -2.303501
H 2.275343 3.529636 1.680715
H -5.767994 -1.846213 2.286417


