%chk=000016175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016175

0 1
 O  -0.5159000      0.9577000       1.954700    
 O    2.817300      -2.415000      3.2000002E-02
 O   0.6874000      -1.859600      0.7056000    
 N   2.7400000E-02  0.6275000     -0.3135000    
 N   -1.685800     -5.4400001E-02  -1.817100    
 C    1.420600      0.8850000     -7.2499998E-02
 C   -2.246200      0.3308000      0.5304000    
 C  -0.4568000      0.2870000      -1.578900    
 C  -0.8377000      0.6893000      0.7995000    
 C   -2.604400     -4.9800001E-02 -0.7628000    
 C    2.288400     -0.1518000      0.2524000    
 C    1.884300       2.192700     -0.1691000    
 C   -3.195700      0.3482000       1.559000    
 C   0.4532000      0.3601000      -2.788100    
 C   -3.931300     -0.4148000      -1.018600    
 C    3.636500      0.1222000      0.4835000    
 C    3.232400       2.466600      6.1900001E-02
 C   -4.514100     -1.7000001E-02   1.290700    
 C   -4.882100     -0.3996000      3.0000000E-03
 C    4.108400       1.431500      0.3882000    
 C    1.828200      -1.530600      0.3609000    
 C    2.485900      -3.806100      9.8800004E-02
 H    1.210000       3.006400     -0.4224000    
 H   -2.928600      0.6394000       2.571000    
 H  -8.6300001E-02  7.9599999E-02  -3.697400    
 H    1.298700     -0.3210000      -2.659000    
 H   0.8320000       1.379300      -2.903800    
 H   -4.233900     -0.7109000      -2.020300    
 H    4.343200     -0.6577000      0.7544000    
 H    3.599700       3.486000     -1.1500000E-02
 H   -5.253600     -4.9000001E-03   2.086000    
 H   -5.908900     -0.6842000     -0.2070000    
 H    5.157300       1.645800      0.5714000    
 H    1.672700      -4.033700     -0.5967000    
 H    2.207800      -4.078600       1.121200    
 H    3.369300      -4.381000     -0.1913000    


%chk=000016175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016175

0 1
O -0.264268 0.552060 1.941827
O 2.891025 -2.448346 0.603980
O 0.884596 -2.090086 -0.515102
N -0.009498 0.585345 -0.393762
N -1.838264 0.203457 -1.909011
C 1.407125 0.851023 -0.197535
C -2.231949 0.218295 0.544286
C -0.551585 0.420049 -1.689707
C -0.801887 0.453904 0.800420
C -2.702424 0.106583 -0.802937
C 2.348369 -0.193262 0.027769
C 1.823168 2.198135 -0.168674
C -3.137059 0.099787 1.631271
C 0.395479 0.479092 -2.861003
C -4.087596 -0.119372 -1.036209
C 3.704612 0.149770 0.269311
C 3.176829 2.525504 0.059041
C -4.501630 -0.122865 1.386040
C -4.974715 -0.231651 0.046827
C 4.120304 1.495993 0.278666
C 1.934773 -1.629458 -0.004206
C 2.564850 -3.894122 0.622847
H 1.073680 2.983762 -0.308840
H -2.739312 0.187118 2.647691
H -0.196920 0.377494 -3.781134
H 1.123888 -0.350401 -2.809177
H 0.965615 1.424273 -2.893518
H -4.427169 -0.204292 -2.072805
H 4.419480 -0.656430 0.452357
H 3.488234 3.575239 0.076680
H -5.203296 -0.214003 2.221912
H -6.040247 -0.406508 -0.139514
H 5.171060 1.741517 0.464310
H 2.454898 -4.276106 -0.406105
H 1.624305 -4.061965 1.173221
H 3.414928 -4.365134 1.135382


