%chk=000068766.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068766

0 1
 O    1.025500       1.747600     -0.9499000    
 O    1.054100       1.485900       1.359800    
 N   -1.396700      0.8756000     -0.1805000    
 N  -0.6390000      -1.156800      0.2921000    
 C    1.044000      0.7626000      0.1127000    
 C   0.1857000       2.773600     -0.3943000    
 C   -1.276300       2.289900     -0.4999000    
 C  -0.2956000      9.3000002E-02  7.1000002E-02
 C   0.7256000       2.841900       1.021400    
 C    2.211800     -0.1416000     -9.7000003E-03
 C   -2.512100      9.2699997E-02 -0.1335000    
 C   -2.013000      -1.176700      0.1644000    
 C   -3.872100      0.3522000     -0.3191000    
 C    2.742200     -0.4449000      -1.269000    
 C    2.795300     -0.7014000       1.132600    
 C   -2.908800      -2.252300      0.2903000    
 C   -4.747000     -0.7312000     -0.1899000    
 C   -4.276100      -2.011000      0.1095000    
 C    3.841100      -1.296200      -1.384300    
 C    3.894200      -1.552700       1.017400    
 C    4.417100      -1.850200     -0.2411000    
 H   0.3169000       3.719000     -0.9288000    
 H   -1.940400       2.853700      0.1622000    
 H   -1.622600       2.387700      -1.535200    
 H    1.657400       3.416200       1.058300    
 H   2.0500001E-02   3.257000       1.746400    
 H   -4.238400       1.345800     -0.5519000    
 H    2.305900     -3.5500001E-02  -2.176400    
 H    2.401400     -0.4948000       2.124300    
 H   -2.553200      -3.251300      0.5219000    
 H   -5.814000     -0.5728000     -0.3257000    
 H   -4.980600      -2.833500      0.2035000    
 H    4.246700      -1.530100      -2.364300    
 H    4.341300      -1.986300       1.907200    
 H    5.271900      -2.514100     -0.3309000    


%chk=000068766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068766

0 1
O 1.075898 1.718362 -1.098689
O 1.283246 1.605498 1.226120
N -1.391454 0.908212 -0.248148
N -0.628770 -1.124954 0.487930
C 1.102275 0.735879 0.011840
C 0.151106 2.757244 -0.577296
C -1.295660 2.268090 -0.799289
C -0.279594 0.106091 0.088190
C 0.537093 2.857152 0.933233
C 2.280475 -0.198574 -0.112645
C -2.533887 0.118122 -0.068435
C -2.039659 -1.148454 0.401211
C -3.907585 0.372144 -0.260358
C 3.238461 -0.003864 -1.135345
C 2.453496 -1.241740 0.829786
C -2.944842 -2.193359 0.692091
C -4.793812 -0.685474 0.036977
C -4.320935 -1.946886 0.505883
C 4.365543 -0.850923 -1.216779
C 3.586515 -2.078695 0.749540
C 4.544657 -1.888348 -0.273301
H 0.348344 3.679164 -1.143909
H -2.014835 2.938373 -0.290529
H -1.531342 2.255045 -1.880596
H 1.218264 3.699576 1.135766
H -0.354200 2.925487 1.584865
H -4.281095 1.335521 -0.623964
H 3.095009 0.805503 -1.856246
H 1.700821 -1.403145 1.605659
H -2.575553 -3.159944 1.047601
H -5.870930 -0.535514 -0.096290
H -5.045841 -2.738708 0.723275
H 5.102148 -0.699621 -2.013773
H 3.718040 -2.882975 1.481669
H 5.421300 -2.543284 -0.335447


