%chk=000040221.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040221

0 1
 O    1.917500      0.8076000      -1.701700    
 O   -3.373300       1.755900      0.3591000    
 O   -3.867200     -0.9751000      0.2308000    
 N    3.535600       1.527700      0.7075000    
 C    2.403600      0.5874000      0.6862000    
 C    2.960200     -0.8290000      0.4752000    
 C    1.409400       1.062200     -0.3920000    
 C    1.917800      -1.941700      0.5807000    
 C   0.8668000      -1.919500     -0.5261000    
 C   2.2000000E-02  0.4734000     -0.2256000    
 C  -0.2293000     -0.9108000     -0.2869000    
 C   -1.055700       1.352500     -7.6000001E-03
 C   -1.548300      -1.375400     -0.1319000    
 C   -2.356400      0.8751000      0.1474000    
 C   -2.602900     -0.4901000      8.5000001E-02
 H    1.924200      0.6430000       1.671600    
 H    3.724300      -1.027800       1.239300    
 H    3.475300     -0.9035000     -0.4914000    
 H    1.321100       2.154400     -0.3180000    
 H    1.442000      -1.917900       1.568900    
 H    2.454600      -2.896900      0.5165000    
 H   0.4255000      -2.923100     -0.5843000    
 H    1.324200      -1.746700      -1.507200    
 H  -0.8811000       2.425600      4.2700000E-02
 H    4.024100       1.495400     -0.1869000    
 H    4.212700       1.234400       1.410700    
 H   -1.750500      -2.443700     -0.1806000    
 H    1.178000      0.8513000      -2.331400    
 H   -4.201700       1.252500      0.4437000    
 H   -3.846100      -1.944700      0.1579000    


%chk=000040221-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040221

0 1
O 1.999004 0.766531 -1.676495
O -3.431340 1.767424 0.364015
O -4.001174 -0.881659 0.190532
N 3.570615 1.584611 0.619400
C 2.477100 0.581604 0.689422
C 2.991882 -0.870843 0.484454
C 1.404639 1.032129 -0.332515
C 1.948444 -2.003628 0.617449
C 0.868980 -1.994788 -0.500825
C 0.014836 0.424589 -0.187826
C -0.241437 -0.976138 -0.282265
C -1.062046 1.322488 0.027626
C -1.578897 -1.429981 -0.158572
C -2.384204 0.862516 0.153012
C -2.636781 -0.527622 0.056082
H 2.010240 0.661392 1.691499
H 3.798622 -1.037348 1.228222
H 3.460122 -0.925605 -0.517561
H 1.320771 2.129643 -0.200132
H 1.454872 -1.959889 1.609575
H 2.487217 -2.971373 0.574004
H 0.417060 -3.002307 -0.574699
H 1.378419 -1.792056 -1.463227
H -0.882244 2.400376 0.101048
H 3.956460 1.642334 -0.331911
H 4.310731 1.424435 1.312394
H -1.786122 -2.506261 -0.229207
H 1.380050 1.127570 -2.359671
H -4.283132 1.260736 0.427830
H -4.136286 -1.856380 0.119944


