%chk=000148627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148627

0 1
 O   3.1500001E-02  0.3846000       1.761500    
 O    2.656500       1.229800       1.388400    
 O    4.767500       1.090500     -0.2750000    
 N    1.404300     -0.1272000     -3.5999998E-02
 N    3.565800      0.4235000     -0.5758000    
 C   -2.114200     -0.1557000     -0.2612000    
 C  -0.8955000      -1.035100      1.2500000E-02
 C   -2.687700      0.3989000       1.049900    
 C   -1.755300      0.9830000      -1.225400    
 C   -3.875700       1.324800      0.7983000    
 C   -2.944700       1.908000      -1.473100    
 C   -1.306000      -2.218300      0.9385000    
 C  -0.3782000      -1.637000      -1.327500    
 C   -3.517500       2.450200     -0.1673000    
 C   0.2098000     -0.1842000      0.6841000    
 C  -0.1971000      -3.216800       1.255300    
 C   -1.361000      -2.544900      -2.060100    
 C    2.555000      0.5725000      0.3535000    
 C    5.842700      0.3535000     -0.8405000    
 H   -2.912800     -0.7512000     -0.7219000    
 H   -3.045000     -0.3982000       1.707800    
 H   -1.984400       1.007200       1.615300    
 H  -0.9266000       1.587100     -0.8385000    
 H   -1.451000      0.6042000      -2.205000    
 H   -4.222800       1.750200       1.747000    
 H   -4.710400      0.7437000      0.3869000    
 H   -3.726400       1.360900      -2.014700    
 H   -2.637100       2.741900      -2.114200    
 H   -1.604300      -1.828500       1.918500    
 H   -2.181300      -2.750400      0.5494000    
 H  -6.1600000E-02 -0.8677000      -2.039900    
 H   0.5133000      -2.253300      -1.151500    
 H   -2.784300       3.116200      0.3039000    
 H   -4.408000       3.053200     -0.3775000    
 H   8.3999999E-02  -3.807100      0.3791000    
 H  -0.5429000      -3.922300       2.018800    
 H   0.6968000      -2.721000       1.645000    
 H   -2.267300      -2.014500      -2.363100    
 H  -0.8920000      -2.919000      -2.977400    
 H   -1.643900      -3.421500      -1.472500    
 H    1.517800     -0.5983000     -0.9221000    
 H    3.534200     -0.1724000      -1.395300    
 H    5.863700     -0.6655000     -0.4407000    
 H    5.760400      0.3315000      -1.931900    
 H    6.778700      0.8513000     -0.5730000    


%chk=000148627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148627

0 1
O 0.916718 -0.517504 1.201822
O 3.489874 -0.044139 -2.086831
O 4.614882 0.617682 0.449928
N 1.468850 -0.610449 -1.051402
N 3.229654 0.317061 0.229117
C -1.864816 -0.167879 -0.196686
C -0.824000 -1.372355 -0.325451
C -2.174603 0.280666 1.257708
C -1.456828 1.073315 -1.042101
C -3.254860 1.391102 1.290373
C -2.544090 2.174484 -1.018228
C -1.121739 -2.478086 0.741141
C -0.889467 -1.976353 -1.772537
C -2.858679 2.611760 0.429710
C 0.582489 -0.809784 0.003794
C -0.240733 -3.742404 0.634628
C -2.194386 -2.728268 -2.121980
C 2.822828 -0.102939 -1.016617
C 4.952220 1.955440 -0.110202
H -2.816171 -0.560594 -0.617853
H -2.530959 -0.575898 1.857668
H -1.245856 0.644272 1.737777
H -0.517297 1.500251 -0.634325
H -1.250097 0.789852 -2.092216
H -3.431743 1.701446 2.338584
H -4.215119 0.979707 0.913588
H -3.469990 1.789605 -1.494502
H -2.210945 3.041641 -1.620890
H -0.967561 -2.036864 1.739916
H -2.191245 -2.755680 0.669989
H -0.760983 -1.171177 -2.524588
H -0.044502 -2.680064 -1.910605
H -1.961183 3.094037 0.868971
H -3.667550 3.367852 0.437763
H -0.396101 -4.294758 -0.309657
H -0.472724 -4.435258 1.463747
H 0.833069 -3.489497 0.710209
H -3.083997 -2.078626 -2.044009
H -2.146724 -3.098497 -3.162249
H -2.353354 -3.600840 -1.465176
H 1.182761 -0.861097 -2.000898
H 2.646886 0.135925 1.066481
H 4.841750 1.942004 -1.207572
H 4.316553 2.737764 0.343703
H 6.006768 2.099744 0.172557


