%chk=000039804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039804

0 1
 O  -0.5053000      -2.196900     -0.9755000    
 O   -2.922600      -1.349300     -3.8500000E-02
 O   -3.273300       1.285800      0.7223000    
 O    4.205400     -0.8322000       1.418500    
 N    3.178100      -1.287800      0.5917000    
 C    1.361300       2.373000     -0.4074000    
 C    2.556700       2.063200      0.5011000    
 C   0.2480000       1.352200     -0.3182000    
 C   0.4290000      8.9999996E-03 -0.7081000    
 C    3.508700       1.020900     -7.8800000E-02
 C    1.750500     -0.4912000      -1.231900    
 C    2.841400     -0.3248000     -0.2037000    
 C  -0.6476000     -0.8881000     -0.6090000    
 C   -1.009500       1.759900      0.1592000    
 C   -1.887200     -0.4667000     -0.1304000    
 C   -2.068200      0.8570000      0.2535000    
 C  -8.4799998E-02  -3.106800      3.6400001E-02
 C   -3.478300      -1.561600       1.257100    
 C   -4.202300       1.784300     -0.2382000    
 H    1.675200       2.478700      -1.453100    
 H   0.9689000       3.356200     -0.1169000    
 H    3.126600       2.991400      0.6343000    
 H    2.213700       1.753200       1.495900    
 H    4.444000       1.034600      0.4841000    
 H    3.797900       1.326200      -1.093500    
 H    1.722800      -1.544100      -1.529100    
 H    2.016200      6.7800000E-02  -2.136800    
 H   -1.167000       2.792700      0.4636000    
 H   0.2874000      -4.012600     -0.4500000    
 H  -0.9349000      -3.376300      0.6701000    
 H   0.7149000      -2.687700      0.6540000    
 H   -4.366200     -0.9376000       1.391700    
 H   -2.753000      -1.371300       2.056100    
 H   -3.788700      -2.608700       1.322200    
 H   -3.795700       2.666900     -0.7420000    
 H   -5.117000       2.071600      0.2873000    
 H   -4.449200       1.012100     -0.9736000    
 H    4.378400      -1.616500       1.966100    


%chk=000039804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039804

0 1
O -0.232800 -2.138659 -0.921837
O -2.840989 -1.343212 0.067893
O -3.242502 1.429250 0.741129
O 4.422261 -0.985068 1.491008
N 3.353708 -1.261757 0.498323
C 1.442606 2.518744 -0.483881
C 2.656858 2.295459 0.461559
C 0.331276 1.483712 -0.348100
C 0.549970 0.117675 -0.678414
C 3.648369 1.194983 -0.006999
C 1.905328 -0.372301 -1.186067
C 3.019971 -0.174181 -0.163231
C -0.507616 -0.824644 -0.511515
C -0.939160 1.893186 0.120419
C -1.781087 -0.408139 -0.025688
C -1.986638 0.966608 0.268353
C -0.722300 -3.274373 -0.120191
C -3.369004 -1.547224 1.439064
C -4.321206 1.388728 -0.273778
H 1.815907 2.546063 -1.529864
H 1.016660 3.518365 -0.279712
H 3.226890 3.242760 0.531865
H 2.292879 2.061651 1.479583
H 4.494110 1.132541 0.697541
H 4.053439 1.494419 -0.996576
H 1.824559 -1.442293 -1.429277
H 2.178704 0.173168 -2.112004
H -1.137304 2.941086 0.367623
H -0.117542 -4.132753 -0.452623
H -1.792785 -3.452958 -0.307267
H -0.550697 -3.096613 0.958940
H -3.699823 -0.588478 1.874486
H -2.592996 -2.005464 2.082482
H -4.219855 -2.236869 1.326415
H -4.076566 2.063578 -1.116181
H -5.225202 1.747094 0.242424
H -4.471281 0.360077 -0.648990
H 4.568159 -1.887662 1.873590


