%chk=000143301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000143301

0 1
 O   0.1376000     -0.2977000       1.486900    
 O   -4.214400     -0.4708000      0.4445000    
 O    2.976900      -2.081900     -0.6402000    
 O   -2.766700       1.219300     -0.1327000    
 N    2.646000     -8.2999999E-03  0.3662000    
 N  -0.7239000     -0.5290000     -0.6557000    
 C    1.395600       1.933200     -0.5707000    
 C    1.495200      0.4028000     -0.3974000    
 C   0.2524000     -0.1847000      0.2683000    
 C    2.625100       2.485600      -1.298600    
 C    1.198100       2.677100      0.7544000    
 C   -2.009300      -1.069400     -0.2779000    
 C    3.290900      -1.221200      0.1780000    
 C   -2.533600      -1.995200      -1.364500    
 C   -3.021000      2.8300000E-02  1.6000001E-02
 C    4.477600      -1.387100       1.089100    
 C   -5.226600      0.4990000      0.7343000    
 H   0.5165000       2.145700      -1.193900    
 H    1.592600     -5.1500000E-02  -1.392600    
 H    3.537000       2.367500     -0.7039000    
 H    2.500500       3.553400      -1.508600    
 H    2.772600       1.974400      -2.255700    
 H   0.2772000       2.365900       1.256300    
 H    2.034600       2.523400       1.442800    
 H    1.115500       3.755000      0.5753000    
 H    2.964500      0.5926000       1.120300    
 H   -1.873100      -1.634100      0.6524000    
 H  -0.5697000     -0.3160000      -1.637200    
 H   -3.470700      -2.476000      -1.065000    
 H   -2.725800      -1.446100      -2.293500    
 H   -1.807400      -2.784200      -1.588700    
 H    4.891600      -2.392900      0.9773000    
 H    5.245100     -0.6527000      0.8296000    
 H    4.173300      -1.245100       2.130000    
 H   -5.470600       1.071900     -0.1654000    
 H   -4.895600       1.163100       1.538400    
 H   -6.122400     -3.3300001E-02   1.065000    


%chk=000143301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000143301

0 1
O 0.320194 -0.975481 1.399898
O -4.565964 -0.074722 0.092697
O 3.828791 -0.414832 -1.774813
O -3.176846 0.944271 -1.475071
N 2.662443 -0.310720 0.238323
N -0.949192 -0.110641 -0.340190
C 1.460349 1.900354 -0.120734
C 1.481014 0.341644 -0.334506
C 0.242071 -0.315186 0.311320
C 2.660654 2.562238 -0.833596
C 1.420788 2.280850 1.376592
C -2.224343 -0.607163 0.197179
C 3.740529 -0.701396 -0.539635
C -2.404330 -2.136121 -0.011265
C -3.339479 0.180036 -0.492442
C 4.824075 -1.488474 0.192679
C -5.735354 0.607950 -0.521472
H 0.527412 2.268263 -0.599781
H 1.500085 0.150234 -1.426011
H 3.611887 2.240819 -0.373164
H 2.593705 3.662932 -0.750902
H 2.704596 2.288078 -1.901991
H 0.538505 1.861607 1.893393
H 2.325301 1.910731 1.893804
H 1.394056 3.379827 1.489606
H 2.526039 -0.700064 1.177953
H -2.257123 -0.405702 1.284560
H -1.001016 0.440516 -1.203700
H -3.359580 -2.470243 0.426771
H -2.390320 -2.390985 -1.085367
H -1.574761 -2.657669 0.492714
H 4.994146 -2.441989 -0.335939
H 5.770712 -0.921613 0.154638
H 4.576873 -1.698732 1.247328
H -5.840594 0.302539 -1.575560
H -5.604954 1.701308 -0.468088
H -6.594770 0.278536 0.077670


