%chk=000047301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047301

0 1
 O   0.3568000      0.5201000      0.1616000    
 O   0.7540000      -1.642600     -0.5201000    
 N    5.258200      0.4847000      0.1327000    
 C   -1.044900      0.2999000      9.8499998E-02
 C   -2.962600      -1.065200      0.9980000    
 C   -3.296200       1.376300      0.4489000    
 C   -2.973600     -0.3024000      -1.407700    
 C   -1.443100     -0.8380000       1.055500    
 C   -1.775200       1.591200      0.5092000    
 C   -1.454300     -7.8500003E-02  -1.335300    
 C   -3.682700      0.2331000       1.404500    
 C   -3.363000      -1.435200     -0.4413000    
 C   -3.694600      0.9907000     -0.9868000    
 C    1.145500     -0.5385000     -0.1747000    
 C    2.582500     -0.1810000     -6.7100003E-02
 C    3.492000      -1.161900      0.2522000    
 C    2.964500       1.121200     -0.2902000    
 C    4.820300     -0.7774000      0.3401000    
 C    4.316400       1.403500     -0.1780000    
 H   -3.244700      -1.873300       1.682100    
 H   -3.813200       2.296500      0.7430000    
 H   -3.262500     -0.5698000      -2.430200    
 H   -1.138300     -0.5816000       2.079100    
 H  -0.9599000      -1.795000      0.8472000    
 H   -1.477800       2.418500     -0.1482000    
 H   -1.470000       1.891700       1.519900    
 H  -0.9705000     -0.9789000      -1.720200    
 H   -1.157400      0.7219000      -2.026500    
 H   -4.768700      8.0300003E-02   1.384500    
 H   -3.417600      0.5011000       2.434700    
 H   -2.868000      -2.367700     -0.7393000    
 H   -4.443400      -1.617100     -0.4941000    
 H   -4.780800      0.8505000      -1.048800    
 H   -3.438400       1.803700      -1.677300    
 H    3.204700      -2.191100      0.4335000    
 H    2.270600       1.910400     -0.5553000    
 H    5.591900      -1.498600      0.5889000    
 H    4.689500       2.408900     -0.3435000    


%chk=000047301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047301

0 1
O 0.378610 0.363168 0.104184
O 0.975871 -1.863030 -0.350194
N 5.414918 0.663107 0.167194
C -1.122304 0.132443 0.039867
C -3.135387 -0.970507 1.069216
C -3.257145 1.446833 0.314465
C -3.106491 -0.409796 -1.406584
C -1.579477 -0.886011 1.109974
C -1.705099 1.527028 0.348419
C -1.550612 -0.325869 -1.372723
C -3.743428 0.424472 1.378016
C -3.587860 -1.434909 -0.342515
C -3.714217 0.985864 -1.096006
C 1.279627 -0.667740 -0.104972
C 2.696285 -0.175440 -0.002035
C 3.752644 -1.108924 -0.141343
C 3.020820 1.185219 0.223522
C 5.083486 -0.646744 -0.048381
C 4.383259 1.551582 0.297793
H -3.470832 -1.702861 1.828846
H -3.675354 2.447664 0.536027
H -3.422689 -0.741842 -2.414389
H -1.237897 -0.552095 2.109022
H -1.135667 -1.875722 0.906971
H -1.336523 2.253803 -0.400623
H -1.352435 1.861878 1.342563
H -1.106728 -1.309999 -1.602395
H -1.187039 0.401592 -2.124368
H -4.850031 0.366801 1.368173
H -3.441831 0.756555 2.391640
H -3.170066 -2.436850 -0.563448
H -4.691885 -1.523553 -0.375116
H -4.820280 0.934421 -1.137501
H -3.391099 1.720182 -1.860840
H 3.523730 -2.164189 -0.317687
H 2.228453 1.928999 0.335329
H 5.926309 -1.339339 -0.148902
H 4.673866 2.594210 0.468300


