%chk=000033741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033741

0 1
 O   -1.242100       1.405900       1.678200    
 O    3.542600     -0.4131000      -1.607700    
 N   -2.397400      -2.361600      8.8000000E-03
 C   -1.597900     -4.8700001E-02 -0.2112000    
 C  -0.6980000       1.075700      0.3899000    
 C   -3.039400      0.4487000     -0.4414000    
 C  -0.7842000       2.354300     -0.4812000    
 C   -3.080200       1.711800      -1.295100    
 C   -2.223700       2.820700     -0.6986000    
 C   -1.646600      -1.307800      0.6675000    
 C   0.7637000      0.6314000      0.5226000    
 C    1.493900      0.3076000     -0.6172000    
 C    1.351400      0.5554000       1.782000    
 C   -2.447200      -3.566200      0.8432000    
 C   -1.814000      -2.679400      -1.298100    
 C    2.823700     -9.6000001E-02 -0.4964000    
 C    2.681000      0.1520000       1.902700    
 C    3.417300     -0.1735000      0.7636000    
 C    4.896900     -0.8170000      -1.411700    
 H   -1.168200     -0.2798000      -1.191900    
 H   -3.528600      0.6499000      0.5204000    
 H   -3.645500     -0.3123000     -0.9455000    
 H  -0.3267000       2.193200      -1.464900    
 H  -0.2269000       3.172100     -5.7000001E-03
 H   -4.115500       2.058400      -1.390100    
 H   -2.727400       1.480000      -2.307700    
 H   -2.229400       3.688800      -1.367700    
 H   -2.657800       3.152600      0.2522000    
 H   -2.119200      -1.065200       1.627800    
 H  -0.6310000      -1.655000      0.8938000    
 H  -0.8516000       2.247700       1.969500    
 H    1.048000      0.3569000      -1.606600    
 H   0.8111000      0.7945000       2.692600    
 H   -2.904500      -3.342600       1.813600    
 H   -1.451000      -3.988100       1.019300    
 H   -3.071400      -4.334800      0.3739000    
 H   -2.039200      -1.917500      -2.050200    
 H   -2.259500      -3.598500      -1.699300    
 H  -0.7302000      -2.836000      -1.247500    
 H    3.142300      9.0099998E-02   2.884200    
 H    4.444500     -0.4794000      0.9298000    
 H    5.316700      -1.030700      -2.400100    
 H    4.960500      -1.743100     -0.8303000    
 H    5.498100     -1.1500000E-02 -0.9765000    


%chk=000033741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033741

0 1
O -1.312111 1.351289 1.716884
O 3.594284 -0.165732 -1.689384
N -2.380504 -2.423418 -0.011069
C -1.607523 -0.026932 -0.254597
C -0.711735 1.085583 0.384426
C -3.044092 0.486802 -0.515227
C -0.776182 2.394385 -0.459682
C -3.061176 1.767999 -1.376687
C -2.221073 2.879395 -0.708646
C -1.617935 -1.310933 0.611495
C 0.752971 0.621984 0.539345
C 1.559502 0.419070 -0.603403
C 1.315775 0.387953 1.822195
C -2.727710 -3.467311 0.973764
C -1.705903 -2.997089 -1.192588
C 2.905128 -0.000049 -0.474488
C 2.659417 -0.022795 1.944542
C 3.472041 -0.220345 0.804835
C 4.991444 -0.597323 -1.620429
H -1.135199 -0.256975 -1.233396
H -3.521158 0.698106 0.461575
H -3.622398 -0.327050 -0.988898
H -0.280339 2.220779 -1.433982
H -0.179119 3.175853 0.055489
H -4.102703 2.112601 -1.526282
H -2.648277 1.548266 -2.384392
H -2.199761 3.790310 -1.338334
H -2.691798 3.157362 0.254756
H -2.095829 -1.064052 1.576801
H -0.565749 -1.619811 0.835266
H -0.888206 2.167125 2.088731
H 1.173639 0.573059 -1.616720
H 0.687551 0.503338 2.710047
H -3.303110 -3.019193 1.803105
H -1.833614 -3.981774 1.412355
H -3.359604 -4.237507 0.494447
H -1.576816 -2.229816 -1.975473
H -2.328317 -3.805830 -1.616394
H -0.695226 -3.421185 -0.957922
H 3.083306 -0.201716 2.939540
H 4.511258 -0.541184 0.922273
H 5.324362 -0.660778 -2.666965
H 5.084719 -1.590478 -1.138855
H 5.615171 0.137918 -1.075058


