%chk=000030388.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030388

0 1
 O    4.070900      0.2031000     -2.6000001E-02
 O   -5.299300       1.492500      0.6000000    
 O    3.826400       2.366300     -0.7738000    
 N   -2.188800      0.3079000      3.4800000E-02
 N   -3.023200       1.323000      0.3147000    
 C   -2.809400     -0.9024000     -0.1193000    
 C   -4.161900     -0.6480000      7.8599997E-02
 C  -0.8190000      0.5526000     -7.2300002E-02
 C   -4.222600      0.7375000      0.3407000    
 C    6.128000     -0.9790000      0.3554000    
 C   -2.307800      -2.173100     -0.4094000    
 C   -5.081800      -1.705900     -1.3600000E-02
 C    7.652000     -0.9076000      0.3260000    
 C  -0.3775000       1.793900     -0.5104000    
 C   8.3300002E-02 -0.4486000      0.2610000    
 C    5.495300      0.3315000     -9.0800002E-02
 C    1.906700       1.039700     -0.2845000    
 C   0.9916000       2.038600     -0.6169000    
 C    1.452400     -0.2039000      0.1545000    
 C   -3.235900      -3.215700     -0.4984000    
 C   -4.599600      -2.988400     -0.3038000    
 C    3.334000       1.295300     -0.3949000    
 C    8.279900      -2.203600      0.8133000    
 C   -5.093800       2.894400      0.8353000    
 H    5.772400      -1.793300     -0.2882000    
 H    5.778400      -1.222700       1.366600    
 H   -1.275400      -2.389400     -0.6477000    
 H   -6.144800      -1.541300      0.1344000    
 H    7.998900     -8.2099997E-02  0.9585000    
 H    7.995400     -0.7010000     -0.6942000    
 H   -1.065600       2.588200     -0.7874000    
 H  -0.2004000      -1.385200      0.7257000    
 H    5.812300       1.148500      0.5676000    
 H    5.789700      0.5623000      -1.121000    
 H    1.324400       3.013600     -0.9633000    
 H    2.128900      -1.001100      0.4501000    
 H   -2.891100      -4.217900     -0.7412000    
 H   -5.298600      -3.817000     -0.3830000    
 H    7.982800      -2.420300       1.844400    
 H    7.977700      -3.046700      0.1838000    
 H    9.371600      -2.130800      0.7826000    
 H   -4.465900       3.052200       1.718500    
 H   -6.071700       3.345400       1.027100    
 H   -4.662000       3.377500     -4.7499999E-02


%chk=000030388-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030388

0 1
O 4.221634 0.152478 0.050208
O -5.451575 1.559547 0.430018
O 3.894423 2.387492 -0.532752
N -2.219218 0.189666 0.035790
N -3.076616 1.310173 0.219718
C -2.962664 -1.001522 -0.078758
C -4.342379 -0.634560 0.069842
C -0.821939 0.424326 -0.019697
C -4.322934 0.798365 0.248564
C 6.377125 -0.936901 0.323797
C -2.600469 -2.344887 -0.353346
C -5.371384 -1.601155 -0.005174
C 7.918847 -0.803926 0.310058
C -0.350988 1.723756 -0.355508
C 0.111476 -0.605306 0.280896
C 5.692829 0.390050 -0.004757
C 1.967033 0.941345 -0.149837
C 1.027949 1.971889 -0.421279
C 1.491469 -0.345757 0.209454
C -3.638269 -3.294170 -0.431395
C -5.007530 -2.938178 -0.248826
C 3.415570 1.261750 -0.237757
C 8.626863 -2.135692 0.638755
C -5.226565 3.011610 0.599367
H 6.060694 -1.703147 -0.410133
H 6.040541 -1.284967 1.319510
H -1.567510 -2.649263 -0.532492
H -6.417784 -1.304507 0.113596
H 8.228773 -0.029797 1.041101
H 8.249928 -0.443949 -0.685177
H -1.079688 2.511794 -0.555887
H -0.231410 -1.585565 0.618454
H 5.947514 1.183629 0.722706
H 5.952834 0.757188 -1.015217
H 1.405416 2.964695 -0.686994
H 2.212414 -1.132620 0.447254
H -3.383339 -4.337934 -0.646508
H -5.777563 -3.713757 -0.314124
H 8.335953 -2.502252 1.641073
H 8.360000 -2.918791 -0.095537
H 9.725970 -2.020784 0.626316
H -4.585811 3.200361 1.478513
H -6.230081 3.436398 0.742057
H -4.742641 3.431877 -0.299892


