%chk=000153494.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153494

0 1
 O   -3.521600     -0.3203000      -1.051800    
 O   0.1778000       2.754300      0.7565000    
 O  -0.3216000     -0.9984000       2.313100    
 O    3.963800      0.6626000      -1.460800    
 O   -4.808300      -1.298800      0.5985000    
 N   -1.062500      0.2661000      0.5529000    
 N    1.526400       1.452100     -0.6716000    
 C  -0.8890000       1.056600     -0.6586000    
 C   -2.260600       1.721100     -0.8823000    
 C   -3.235000      0.7769000     -0.1925000    
 C   -2.446400      0.3026000       1.016600    
 C   0.2355000       2.071600     -0.4930000    
 C  -9.8899998E-02 -0.4639000       1.223800    
 C    1.247200     -0.6738000      0.6112000    
 C    1.954900      0.2227000     -0.2108000    
 C    3.241600     -0.1790000     -0.6508000    
 C    1.838300      -1.912500      0.9572000    
 C    3.812500      -1.401500     -0.3004000    
 C   -4.325100      -1.292900     -0.5256000    
 C    1.235800       3.693700      0.8855000    
 C    3.105700      -2.273300      0.5065000    
 C    5.169600      -1.787800     -0.7866000    
 C   -4.540100      -2.377800      -1.537000    
 H  -0.6852000      0.3629000      -1.484900    
 H   -2.299300       2.704200     -0.3978000    
 H   -2.466400       1.850400      -1.949500    
 H   -4.170300       1.280700      7.4100003E-02
 H   -2.486400       1.045400       1.822000    
 H   -2.709300     -0.6714000       1.432500    
 H   0.1239000       2.820800      -1.288200    
 H    2.208700       1.996400      -1.191600    
 H    1.310100      -2.629200       1.584000    
 H    1.031200       4.308700       1.766700    
 H    1.290400       4.355300      1.5100000E-02
 H    2.194500       3.192700       1.049600    
 H    3.518000      -3.235800      0.7957000    
 H    5.924700      -1.075700     -0.4373000    
 H    5.465700      -2.774300     -0.4120000    
 H    5.189000      -1.843300      -1.880100    
 H   -3.581400      -2.828200      -1.805800    
 H   -5.034600      -1.967300      -2.421000    
 H   -5.181000      -3.152900      -1.107100    
 H    4.822100      0.2847000      -1.703900    


%chk=000153494-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153494

0 1
O -3.616245 -0.365630 -0.965939
O 0.090110 2.660630 0.657558
O -0.355486 -1.303880 2.191914
O 4.025516 0.777167 -1.478539
O -5.441037 -0.770550 0.431843
N -0.990857 0.124359 0.509213
N 1.607388 1.359132 -0.783348
C -0.841721 0.924605 -0.724672
C -2.221785 1.621061 -0.880176
C -3.196846 0.761141 -0.066895
C -2.347202 0.227358 1.095918
C 0.307298 1.956157 -0.626002
C -0.037217 -0.652968 1.136823
C 1.348574 -0.791893 0.553767
C 2.056432 0.128317 -0.282193
C 3.397834 -0.204594 -0.661383
C 2.023085 -1.979933 0.963859
C 4.052081 -1.385063 -0.268947
C -4.760476 -1.075766 -0.573293
C 1.056576 3.735240 0.894764
C 3.331137 -2.281673 0.563734
C 5.474448 -1.669506 -0.718308
C -5.014172 -2.233867 -1.512326
H -0.627532 0.265433 -1.588525
H -2.171646 2.625510 -0.424518
H -2.531631 1.711848 -1.933220
H -4.103173 1.285551 0.276225
H -2.355012 0.938448 1.945063
H -2.678334 -0.751225 1.476783
H 0.201025 2.699360 -1.449332
H 2.310436 1.861991 -1.328769
H 1.470741 -2.645100 1.633663
H 0.758034 4.200964 1.846505
H 1.027660 4.496781 0.084744
H 2.086367 3.338330 0.984882
H 3.808821 -3.209963 0.894814
H 6.192056 -0.906292 -0.353093
H 5.815193 -2.640594 -0.323956
H 5.564635 -1.721622 -1.822646
H -4.363821 -3.081716 -1.228948
H -4.772374 -1.959588 -2.551375
H -6.063269 -2.554626 -1.430931
H 4.948790 0.511065 -1.704237


