%chk=000120871.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120871

0 1
 O   0.7120000     -0.3727000      -3.078400    
 N    3.035700      0.7002000     -0.4163000    
 C    2.526700      0.4904000      -1.771400    
 C    3.211200     -0.5866000      0.2717000    
 C    4.293300       1.459800     -0.4513000    
 C    3.696600     -0.3827000       1.707600    
 C    4.814000       1.730700      0.9612000    
 C    1.158100     -0.1988000      -1.734900    
 C    4.982100      0.4358000       1.747700    
 C   0.1452000      0.6652000     -0.9585000    
 C   -1.278400      5.1399998E-02 -0.8559000    
 C   -1.310400      -1.306400     -0.1665000    
 C   -2.298300       1.006700     -0.2400000    
 C   -1.166500      -2.445300     -0.9315000    
 C   -3.616400      0.9073000     -0.6272000    
 C   -1.482500      -1.355000       1.201100    
 C   -1.864100       1.934700      0.6806000    
 C   -1.196200      -3.688800     -0.3002000    
 C   -4.547900       1.780200     -6.4999998E-02
 C   -1.512200      -2.598500       1.832500    
 C   -2.795500       2.807500       1.243000    
 C   -1.369000      -3.765300       1.081800    
 C   -4.137400       2.730200      0.8701000    
 H    3.225000     -0.1036000      -2.376700    
 H    2.422400       1.451500      -2.292900    
 H    3.917400      -1.229400     -0.2700000    
 H    2.271200      -1.136100      0.3680000    
 H    4.130400       2.425700     -0.9448000    
 H    5.057800      0.9233000      -1.028600    
 H    3.864200      -1.355300       2.184300    
 H    2.919300      0.1290000       2.289500    
 H    4.115100       2.391300       1.489800    
 H    5.773300       2.257800      0.9075000    
 H    1.229000      -1.204800      -1.319800    
 H    5.254500      0.6582000       2.785300    
 H    5.802900     -0.1504000       1.316800    
 H   6.8099998E-02   1.645400      -1.448600    
 H   0.5401000      0.8234000      5.0500002E-02
 H   -1.615100     -9.6799999E-02  -1.893600    
 H    1.363500     -0.9321000      -3.534800    
 H   -1.038200      -2.399000      -2.008500    
 H   -3.944600      0.1698000      -1.353300    
 H   -1.570600     -0.4738000       1.825400    
 H  -0.8375000       2.020800       1.014500    
 H   -1.085900      -4.597500     -0.8849000    
 H   -5.593000       1.719500     -0.3547000    
 H   -1.640400      -2.658500       2.909300    
 H   -2.477400       3.544600       1.974500    
 H   -1.390800      -4.733400       1.573400    
 H   -4.862900       3.409000       1.308800    


%chk=000120871-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120871

0 1
O 0.634205 -0.280198 -3.102651
N 3.127710 0.534785 -0.343297
C 2.551779 0.383268 -1.697810
C 3.492983 -0.764564 0.280900
C 4.271430 1.485089 -0.327096
C 3.961284 -0.570969 1.737464
C 4.757823 1.748871 1.112219
C 1.115947 -0.194986 -1.702265
C 5.140045 0.424880 1.811429
C 0.123266 0.696894 -0.952879
C -1.321124 0.122964 -0.923748
C -1.356474 -1.245569 -0.222445
C -2.344767 1.091636 -0.311121
C -1.415973 -2.440504 -0.983640
C -3.728417 0.841572 -0.516356
C -1.292862 -1.346146 1.192066
C -1.979477 2.219437 0.466487
C -1.411241 -3.705783 -0.351435
C -4.714635 1.686595 0.033769
C -1.283300 -2.607477 1.827224
C -2.964642 3.069854 1.022603
C -1.342598 -3.794006 1.057684
C -4.335884 2.808336 0.809808
H 3.197939 -0.265165 -2.352903
H 2.510273 1.381263 -2.174750
H 4.307306 -1.270278 -0.305828
H 2.613065 -1.432005 0.262977
H 3.941327 2.430341 -0.797298
H 5.130984 1.092521 -0.934776
H 4.250058 -1.552065 2.161137
H 3.111938 -0.185645 2.334136
H 3.944741 2.244648 1.677338
H 5.620598 2.442244 1.086577
H 1.111735 -1.212823 -1.260175
H 5.426456 0.610384 2.863946
H 6.026160 -0.015293 1.308009
H 0.108368 1.688250 -1.447631
H 0.522052 0.838668 0.068933
H -1.608456 -0.044240 -1.979845
H 1.258685 -0.849630 -3.620826
H -1.461873 -2.372859 -2.077669
H -4.029649 -0.030525 -1.110336
H -1.268799 -0.430867 1.795828
H -0.922704 2.447779 0.639671
H -1.463297 -4.618679 -0.956306
H -5.775637 1.473561 -0.141005
H -1.238456 -2.667076 2.921027
H -2.658878 3.937110 1.619587
H -1.342166 -4.772695 1.551061
H -5.098948 3.467699 1.238810


