%chk=000044786.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044786

0 1
 O    3.489700     -0.6089000      -1.075400    
 N    2.561900       1.839800       1.067700    
 C   -2.268800      0.3662000     -0.2297000    
 C  -0.8908000     -0.2157000     -0.6584000    
 C  -1.5000000E-03 -0.7889000      0.4745000    
 C    1.379800      -1.243500     -5.5799998E-02
 C   -3.390900     -0.6777000     -0.3303000    
 C   -2.209700      0.9134000       1.207600    
 C   -2.608600       1.536600      -1.175400    
 C  -0.6909000      -1.991000       1.136800    
 C    2.218900     -0.1097000     -0.6655000    
 C    2.411000      0.9795000      0.3037000    
 H   -1.032000     -0.9721000      -1.441600    
 H  -0.3298000      0.5966000      -1.133900    
 H   0.1680000     -3.5700001E-02   1.250000    
 H    1.252300      -2.035800     -0.8056000    
 H    1.951100      -1.706600      0.7610000    
 H   -3.466400      -1.073900      -1.349300    
 H   -3.243500      -1.525800      0.3411000    
 H   -4.361800     -0.2345000     -7.9200000E-02
 H   -2.127700      0.1537000       1.983900    
 H   -1.385600       1.626100       1.327800    
 H   -3.130600       1.465900       1.435400    
 H   -2.635700       1.203400      -2.219100    
 H   -3.588200       1.967600     -0.9390000    
 H   -1.868400       2.341300      -1.098300    
 H  -0.9695000      -2.742600      0.3896000    
 H  -6.6000000E-03  -2.475400       1.843400    
 H   -1.580200      -1.740300       1.711500    
 H    1.740800      0.2834000      -1.567600    
 H    3.330900      -1.327500      -1.711100    


%chk=000044786-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044786

0 1
O 3.590492 -0.567337 -1.024507
N 2.578124 1.769289 1.248827
C -2.293462 0.418848 -0.199224
C -0.895170 -0.170921 -0.599925
C -0.023374 -0.885984 0.474058
C 1.367292 -1.267792 -0.112820
C -3.409882 -0.662257 -0.195657
C -2.230260 1.123814 1.181405
C -2.669406 1.475254 -1.278905
C -0.663411 -2.164693 1.067243
C 2.245606 -0.097461 -0.630978
C 2.453766 0.934914 0.406935
H -1.040370 -0.864244 -1.457464
H -0.305111 0.684903 -0.989441
H 0.151365 -0.174641 1.306864
H 1.221355 -1.970847 -0.961411
H 1.958252 -1.800307 0.656539
H -3.484944 -1.154268 -1.184526
H -3.239678 -1.446990 0.559586
H -4.389553 -0.195761 0.022441
H -2.049261 0.407855 2.003888
H -1.424863 1.882307 1.207836
H -3.186080 1.638965 1.393229
H -2.663202 1.027624 -2.291531
H -3.681610 1.882151 -1.095413
H -1.957077 2.322029 -1.274948
H -0.978004 -2.864024 0.268822
H 0.057805 -2.694458 1.717963
H -1.548472 -1.933067 1.682606
H 1.751724 0.393490 -1.496001
H 3.474611 -1.278490 -1.706693


