%chk=000060186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060186

0 1
 O    4.229900       1.130400     -0.2120000    
 O    4.700600     -0.1329000     -0.8126000    
 O   0.7507000      0.2010000      0.2884000    
 O  -0.7302000       1.825100     -0.3437000    
 N   -1.439700     -0.3271000      0.2614000    
 N   -5.606900     -0.1743000     -0.1496000    
 C    3.134000      0.4341000      0.4227000    
 C    3.494200     -0.8014000     -0.3811000    
 C    1.828100       1.124900      9.5200002E-02
 C    3.333900      0.3852000       1.915800    
 C    3.843400      -2.052100      0.3873000    
 C    2.633100      -1.115300      -1.581900    
 C  -0.5059000      0.6804000      3.0800000E-02
 C   -2.826900     -0.2762000      0.1251000    
 C   -3.597700      -1.399000      0.4055000    
 C   -3.444500      0.8976000     -0.2925000    
 C   -4.971200      -1.297100      0.2540000    
 C   -4.824900      0.8967000     -0.4129000    
 H    1.812200       1.475200     -0.9441000    
 H    1.673400       2.003900      0.7337000    
 H    3.204000       1.374600       2.369800    
 H    2.618900     -0.2925000       2.395000    
 H    4.343100      5.7799999E-02   2.187800    
 H    4.629100      -1.884700       1.130800    
 H    2.966200      -2.454200      0.9059000    
 H    4.217100      -2.836200     -0.2816000    
 H    3.121700      -1.857500      -2.224900    
 H    1.666500      -1.539000      -1.291700    
 H    2.453300     -0.2395000      -2.213600    
 H   -1.056900      -1.217600      0.5701000    
 H   -3.150300      -2.331400      0.7334000    
 H   -2.931300       1.816800     -0.5324000    
 H   -5.616900      -2.144300      0.4599000    
 H   -5.355800       1.786500     -0.7351000    


%chk=000060186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060186

0 1
O 4.034838 1.339565 -0.017650
O 5.011453 0.113130 0.080666
O 0.597276 -0.054628 -0.786170
O -0.627053 1.774413 0.075471
N -1.581217 -0.365771 -0.292571
N -5.657563 0.037807 0.926357
C 2.854313 0.376030 0.143853
C 3.816969 -0.826328 -0.184569
C 1.811353 0.793845 -0.901539
C 2.312221 0.451676 1.570600
C 3.875180 -2.008939 0.778326
C 3.857634 -1.266137 -1.651687
C -0.564231 0.577484 -0.288253
C -2.922628 -0.184937 0.122245
C -3.803876 -1.296125 0.039610
C -3.433123 1.044528 0.615108
C -5.142760 -1.135158 0.447926
C -4.791017 1.093195 0.997199
H 2.175558 0.655828 -1.928777
H 1.532538 1.851140 -0.737650
H 1.778041 1.405857 1.720221
H 1.607214 -0.373822 1.778025
H 3.141554 0.401751 2.294685
H 3.830273 -1.692462 1.831424
H 3.045368 -2.711902 0.579268
H 4.823092 -2.556707 0.627255
H 4.680737 -1.986920 -1.799186
H 2.911418 -1.754962 -1.949800
H 4.044029 -0.404883 -2.314930
H -1.315666 -1.287754 -0.646703
H -3.458528 -2.267108 -0.334401
H -2.794034 1.925083 0.694526
H -5.841396 -1.977486 0.393184
H -5.213669 2.028597 1.380836


