%chk=000054666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054666

0 1
 O    2.722800       1.645500      0.7847000    
 N    5.421800      0.8406000      0.7351000    
 N   -3.209100      0.4060000      0.8196000    
 N   -1.849300      -1.420600      8.4399998E-02
 C    4.980400       2.032900      4.9600001E-02
 C    3.527700       1.884100     -0.3691000    
 C    5.827800     -0.3000000      2.8899999E-02
 C    5.452200      0.8459000       2.198200    
 C    6.263400      -1.438400      0.7163000    
 C    5.801000     -0.3114000      -1.370200    
 C    1.601500      0.8931000      0.6129000    
 C  -0.6909000     -0.6455000      0.2616000    
 C   -3.040300     -0.9099000      0.3633000    
 C    1.122100      0.1064000       1.660400    
 C   0.9319000      0.9087000     -0.6107000    
 C    6.666900      -2.573800      1.3500000E-02
 C    6.204400      -1.446800      -2.072900    
 C   -4.275800      -1.659300      0.2015000    
 C  -2.6799999E-02 -0.6647000       1.484200    
 C  -0.2171000      0.1375000     -0.7867000    
 C    6.637400      -2.577800      -1.381100    
 C   -3.385700       1.616000      0.1136000    
 C   -4.369900      -2.645300     -0.7809000    
 C   -5.366800      -1.393000       1.028800    
 C   -3.524000       2.815100      0.8111000    
 C   -3.421800       1.609400      -1.280000    
 C   -5.554900      -3.364400     -0.9361000    
 C   -6.551800      -2.112400      0.8737000    
 C   -6.645700      -3.098100     -0.1089000    
 C   -3.699000       4.010300      0.1135000    
 C   -3.596800       2.804700      -1.977600    
 C   -3.735400       4.005100      -1.280700    
 H    5.622400       2.295300     -0.7988000    
 H    5.054300       2.892500      0.7285000    
 H    3.438300       1.070200      -1.096800    
 H    3.191900       2.813900     -0.8429000    
 H    5.086300       1.795500       2.604700    
 H    4.804700      6.2600002E-02   2.607600    
 H    6.474500      0.7148000       2.569300    
 H    6.306600      -1.487100       1.800000    
 H    5.482500      0.5367000      -1.966500    
 H    1.640300      9.0000004E-02   2.615400    
 H    1.253300       1.529000      -1.442100    
 H    7.004500      -3.454900      0.5514000    
 H    6.183200      -1.450400      -3.158800    
 H  -0.3936000      -1.274800       2.305300    
 H  -0.7293000      0.1534000      -1.744700    
 H    6.952000      -3.461700      -1.928200    
 H   -3.312500      0.5157000       1.826000    
 H   -3.534000      -2.864700      -1.440100    
 H   -5.324500     -0.6434000       1.814100    
 H   -3.496900       2.833600       1.897600    
 H   -3.321100      0.6876000      -1.846200    
 H   -5.628800      -4.131000      -1.702000    
 H   -7.400500      -1.907700       1.519800    
 H   -7.568300      -3.658500     -0.2294000    
 H   -3.806800       4.945000      0.6560000    
 H   -3.626200       2.800700      -3.063300    
 H   -3.871800       4.935600      -1.823900    


%chk=000054666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054666

0 1
O 3.062127 0.497631 1.597151
N 6.047098 0.211900 1.078941
N -3.279157 0.978305 0.330109
N -2.340430 -1.125306 0.998514
C 5.222322 1.423098 1.043732
C 3.787274 1.208954 0.530897
C 6.701885 -0.255991 -0.073150
C 6.060417 -0.592669 2.309119
C 7.491788 -1.449176 -0.028254
C 6.617919 0.432512 -1.327168
C 1.717395 0.158987 1.362462
C -1.016355 -0.615904 1.101939
C -3.360207 -0.414630 0.549554
C 1.069213 -0.538241 2.413259
C 1.008144 0.456237 0.172542
C 8.169866 -1.912545 -1.173338
C 7.306012 -0.043751 -2.461293
C -4.679077 -1.101057 0.403393
C -0.271888 -0.930535 2.276834
C -0.347697 0.079827 0.052229
C 8.090091 -1.218650 -2.402687
C -3.949013 1.790079 -0.625843
C -4.701220 -2.483031 0.081188
C -5.903977 -0.424337 0.645516
C -3.945277 3.198657 -0.428082
C -4.571191 1.255605 -1.787061
C -5.926912 -3.174032 -0.014188
C -7.128648 -1.119759 0.557131
C -7.145935 -2.493983 0.221063
C -4.557872 4.053183 -1.367932
C -5.196340 2.119743 -2.710494
C -5.195896 3.520340 -2.512589
H 5.709875 2.194656 0.417909
H 5.156832 1.839725 2.065007
H 3.786218 0.605822 -0.398456
H 3.296460 2.186306 0.334321
H 5.440126 -0.096618 3.070511
H 5.636588 -1.603627 2.144718
H 7.088024 -0.707386 2.710444
H 7.581728 -2.014549 0.903417
H 6.015779 1.340625 -1.429133
H 1.638143 -0.773724 3.318038
H 1.493217 0.967847 -0.664134
H 8.767735 -2.828908 -1.100404
H 7.220287 0.510082 -3.403940
H -0.772108 -1.493927 3.070550
H -0.878962 0.292980 -0.882287
H 8.618089 -1.584989 -3.288928
H -2.480495 1.425158 0.793828
H -3.746367 -2.995367 -0.073190
H -5.897289 0.635954 0.916519
H -3.470054 3.617359 0.467813
H -4.560686 0.177478 -1.969294
H -5.933420 -4.239974 -0.267538
H -8.068021 -0.590981 0.752660
H -8.098823 -3.030265 0.147878
H -4.543834 5.136013 -1.200240
H -5.675138 1.693058 -3.599076
H -5.677664 4.183594 -3.238488


