%chk=000093841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093841

0 1
 O    2.414300     -6.4000003E-02  0.8098000    
 O   -2.414700      6.4300001E-02 -0.8093000    
 O    2.647900     -0.8357000      -1.358300    
 O   -2.646200      0.8352000       1.359300    
 N   0.1797000      0.5737000     -0.1669000    
 N  -0.1804000     -0.5749000      0.1662000    
 C    1.455900      0.9845000      0.4609000    
 C   -1.457000     -0.9851000     -0.4612000    
 C    2.166000       1.969000     -0.5011000    
 C   -2.167100      -1.969700      0.5006000    
 C    1.128000       1.675800       1.794700    
 C   -1.130600      -1.676400      -1.795600    
 C    1.369000       3.216200     -0.8642000    
 C   -1.370500      -3.217600      0.8623000    
 C    2.913300     -0.8749000     -0.1650000    
 C   -2.912400      0.8752000      0.1663000    
 C    3.861300      -1.860600      0.4475000    
 C   -3.856400       1.865000     -0.4458000    
 H    2.412800       1.475800      -1.446500    
 H    3.128700       2.271300     -6.8700001E-02
 H   -3.130200      -2.271300      6.8700001E-02
 H   -2.412900      -1.476900       1.446400    
 H    2.028100       2.108100       2.245700    
 H   0.7365000      0.9471000       2.514700    
 H   0.3742000       2.461200       1.681300    
 H  -0.7393000     -0.9476000      -2.515600    
 H  -0.3772000      -2.462200      -1.683100    
 H   -2.031300      -2.108000      -2.246100    
 H    1.930300       3.818700      -1.586300    
 H   0.4073000       2.962500      -1.320000    
 H    1.185000       3.844800      1.1700000E-02
 H   -1.931400      -3.820000       1.584600    
 H   -1.187600      -3.845800     -1.4000000E-02
 H  -0.4081000      -2.964500       1.317400    
 H    4.685400      -1.331100      0.9322000    
 H    4.274000      -2.502300     -0.3364000    
 H    3.329400      -2.487900       1.167200    
 H   -4.274700       2.500900      0.3397000    
 H   -3.319700       2.497000      -1.157800    
 H   -4.677300       1.338800     -0.9396000    


%chk=000093841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093841

0 1
O 2.392796 0.018488 0.806155
O -2.393092 -0.018079 -0.806271
O 2.506342 -0.850397 -1.377364
O -2.505957 0.849853 1.377643
N 0.107873 0.625663 -0.066294
N -0.107829 -0.625448 0.065094
C 1.420433 1.118257 0.462044
C -1.420596 -1.117933 -0.462814
C 2.043765 2.076605 -0.585660
C -2.043520 -2.076417 0.585003
C 1.128419 1.772639 1.823910
C -1.129127 -1.772032 -1.824943
C 1.224494 3.362121 -0.826599
C -1.223622 -3.361480 0.826227
C 2.792431 -0.914097 -0.161329
C -2.792572 0.914000 0.161757
C 3.616616 -1.999032 0.498397
C -3.616449 1.999551 -0.497346
H 2.165062 1.521059 -1.530426
H 3.055725 2.333328 -0.218229
H -3.055346 -2.333681 0.217588
H -2.165120 -1.520781 1.529682
H 2.032871 2.286499 2.190143
H 0.833087 0.995560 2.547581
H 0.303292 2.496356 1.736776
H -0.834134 -0.994792 -2.548580
H -0.303930 -2.495729 -1.738316
H -2.033709 -2.285857 -2.190900
H 1.683395 3.951016 -1.641031
H 0.189561 3.115145 -1.119781
H 1.186161 4.005270 0.070577
H -1.682247 -3.950426 1.640775
H -1.184955 -4.004798 -0.070810
H -0.188812 -3.113938 1.119385
H 4.346500 -1.564765 1.201046
H 4.130967 -2.595214 -0.269461
H 2.947584 -2.657778 1.081453
H -4.130969 2.595169 0.270838
H -2.947161 2.658748 -1.079613
H -4.346126 1.565946 -1.200607


