%chk=000033910.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033910

0 1
 O    3.159400     -0.5796000      0.4307000    
 O   -3.198900     -0.4964000      0.4592000    
 O    4.585700     -0.6564000      -1.367900    
 O   -3.349500       1.498100     -0.6697000    
 N  -4.5499999E-02  -2.310300     -0.1336000    
 N    5.164200      0.4371000      0.5947000    
 N   -5.066100      0.7434000      0.6962000    
 C   0.9777000      -1.548400      0.5815000    
 C   -1.369500      -2.036900      0.4243000    
 C    2.200800      -1.336700     -0.2964000    
 C   -1.907200     -0.7125000     -9.3599997E-02
 C   0.2484000      -3.741600     -7.4500002E-02
 C    6.477100      0.8932000      0.2002000    
 C   -5.980200       1.846900      0.5115000    
 C    6.441100       2.268100     -0.4562000    
 C   -6.928600       1.624900     -0.6605000    
 C    4.331600     -0.2982000     -0.2226000    
 C   -3.830000      0.6637000      9.0200000E-02
 C    5.896000       3.347100      0.4686000    
 C   -7.806600      0.3945000     -0.4821000    
 H    1.260800      -2.027100       1.529000    
 H   0.6249000     -0.5516000      0.8717000    
 H   -2.084300      -2.812900      0.1172000    
 H   -1.370200      -2.059800       1.522400    
 H    2.654100      -2.292000     -0.5819000    
 H    1.922200     -0.7890000      -1.205200    
 H   -1.984700     -0.7415000      -1.187600    
 H   -1.264000      0.1266000      0.1903000    
 H    1.216300      -3.975100     -0.5290000    
 H   0.2489000      -4.122400      0.9536000    
 H  -0.4958000      -4.308100     -0.6462000    
 H    6.911500      0.1653000     -0.4938000    
 H    7.098700      0.9136000       1.101500    
 H   -5.401800       2.762900      0.3486000    
 H   -6.542100       1.963200       1.444100    
 H    7.456500       2.542200     -0.7644000    
 H    5.826300       2.233700      -1.363400    
 H   -7.569400       2.507100     -0.7720000    
 H   -6.356800       1.521700      -1.590400    
 H    4.833000      0.6738000       1.525000    
 H   -5.350300     -1.9300001E-02   1.303600    
 H    4.851000       3.158300      0.7335000    
 H    6.481600       3.405000       1.391600    
 H    5.943700       4.323400     -2.4300000E-02
 H   -7.210600     -0.5229000     -0.4529000    
 H   -8.387900      0.4585000      0.4433000    
 H   -8.508600      0.3096000      -1.317700    


%chk=000033910-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000033910

0 1
O 2.861784 0.783873 -0.263066
O -3.461580 -0.634477 0.350844
O 4.313438 -1.054346 0.076104
O -3.884933 1.522915 -0.518786
N 0.064960 -1.765833 -0.171544
N 4.906861 1.146648 0.659195
N -5.475308 0.342693 0.750557
C 0.978966 -0.726192 0.357262
C -1.306577 -1.728593 0.381830
C 1.836065 -0.153253 -0.788559
C -2.117364 -0.606431 -0.279768
C 0.671282 -3.113967 -0.176612
C 6.269017 0.835253 1.119300
C -6.535329 1.359861 0.665262
C 7.359403 1.082806 0.048617
C -7.529469 1.126839 -0.498368
C 4.068147 0.179102 0.157923
C -4.257835 0.512275 0.132207
C 7.468422 2.559057 -0.388940
C -8.317277 -0.194853 -0.378842
H 1.652942 -1.132754 1.145476
H 0.393266 0.090060 0.816719
H -1.798418 -2.693790 0.163132
H -1.329083 -1.596377 1.490101
H 2.338725 -0.966096 -1.340652
H 1.226919 0.452009 -1.477035
H -2.216519 -0.782392 -1.365442
H -1.666952 0.390835 -0.127047
H 1.674041 -3.071377 -0.635561
H 0.790658 -3.545313 0.847598
H 0.050720 -3.803951 -0.775538
H 6.273994 -0.227654 1.416960
H 6.481660 1.444696 2.019200
H -6.039493 2.337920 0.537565
H -7.080371 1.374218 1.628924
H 8.328412 0.745424 0.467660
H 7.148729 0.440021 -0.827057
H -8.233796 1.982323 -0.518542
H -6.969000 1.152390 -1.452001
H 4.576298 2.111461 0.634809
H -5.643262 -0.543535 1.226439
H 6.531307 2.908709 -0.861104
H 7.684926 3.217378 0.474503
H 8.279548 2.696289 -1.126429
H -7.638186 -1.067634 -0.397398
H -8.898337 -0.231448 0.562909
H -9.028505 -0.311589 -1.216207


