%chk=000133219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133219

0 1
 O   -1.068700       1.225800     -0.5354000    
 O   -2.584300      0.4139000       1.041900    
 O  -0.4249000       4.642400       1.650900    
 O   0.3505000       4.548900      -1.132300    
 O   -2.845600       3.024500       2.102100    
 O  -0.1314000      0.8278000      -3.088600    
 O   -2.257900      -4.167700     -0.3495000    
 O   -1.431800      -2.441200       2.439800    
 O   -5.628000      -1.339500      -2.175900    
 N    6.341900     -0.3821000     -0.1945000    
 N    6.438000     -0.6320000      -1.415800    
 N    6.532500     -0.8584000      -2.530500    
 C   -1.077300       3.831700      0.6722000    
 C  -3.5399999E-02   3.411700     -0.3647000    
 C   -1.701500       2.614000       1.354000    
 C  -0.6003000       2.339000      -1.298600    
 C   -2.148200       1.571200      0.3295000    
 C   0.4574000       1.819800      -2.267500    
 C   -3.020200     -0.6410000      0.2880000    
 C   -2.393100      -1.881500      0.3681000    
 C   -4.105800     -0.4551000     -0.5641000    
 C   -1.257100      -2.072200       1.262600    
 C   -2.854500      -2.943600     -0.4097000    
 C   0.1705000      -1.815900      0.7514000    
 C   -4.567100      -1.517200      -1.341700    
 C    1.122200      -1.316100       1.840700    
 C   -3.941500      -2.761500      -1.264500    
 C    2.506800      -1.068300       1.300100    
 C    3.437900      -2.096300       1.313600    
 C    2.829000      0.1841000      0.7983000    
 C    4.720100      -1.866800      0.8143000    
 C    4.111100      0.4136000      0.2990000    
 C    5.056600     -0.6118000      0.3070000    
 H   -1.853600       4.459700      0.2177000    
 H   0.8613000       3.045000      0.1485000    
 H  -0.9951000       2.175300       2.068900    
 H   -1.438000       2.732400      -1.890600    
 H   -2.983000       1.972700     -0.2595000    
 H    1.296600       1.358500      -1.737900    
 H   0.8421000       2.615800      -2.911300    
 H  -2.7500000E-02   5.397900       1.184900    
 H  -0.4373000       4.878500      -1.597500    
 H   -3.484800       3.418600       1.484300    
 H  -0.4721000      0.1278000      -2.505700    
 H   -4.616400      0.5024000     -0.6203000    
 H   0.1268000      -1.093000     -7.0400000E-02
 H   0.5351000      -2.761700      0.3322000    
 H    1.172900      -2.040200       2.664100    
 H   0.7255000     -0.3955000       2.288500    
 H   -4.302300      -3.588400      -1.871500    
 H   -2.713600      -4.774500     -0.9578000    
 H    3.184900      -3.077600       1.705100    
 H    2.099300      0.9880000      0.7893000    
 H   -5.811300      -2.176500      -2.636200    
 H    5.449700      -2.672400      0.8252000    
 H    4.363100       1.395400     -9.3699999E-02


%chk=000133219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133219

0 1
O -0.314972 1.418448 -0.167214
O -2.098411 0.324652 0.782651
O -2.158034 5.139832 0.333515
O 0.307739 4.996323 -1.261970
O -3.747782 2.734368 0.360195
O 2.135171 1.075566 -1.797047
O -2.992001 -4.404128 0.535312
O -1.301417 -2.997018 2.503859
O -6.141642 -1.166598 -1.416299
N 6.055332 0.270098 -0.527735
N 6.593900 -0.049948 -1.626260
N 7.239471 -0.194657 -2.612696
C -1.711498 3.921354 -0.343937
C -0.178669 3.857293 -0.455847
C -2.289775 2.748619 0.464428
C 0.248595 2.487324 -1.029375
C -1.787510 1.413722 -0.110129
C 1.765458 2.269330 -1.041426
C -2.923236 -0.727384 0.307372
C -2.528974 -2.048755 0.647725
C -4.124483 -0.429875 -0.365557
C -1.261673 -2.353607 1.422207
C -3.406659 -3.096127 0.255424
C 0.051449 -1.877197 0.806776
C -4.956045 -1.502187 -0.746792
C 1.297241 -2.241006 1.648935
C -4.605686 -2.840007 -0.450934
C 2.558102 -1.615703 1.074315
C 3.114907 -2.084027 -0.147217
C 3.204704 -0.530941 1.723667
C 4.264758 -1.494606 -0.709762
C 4.358221 0.069817 1.179963
C 4.887847 -0.406885 -0.043070
H -2.140981 3.880195 -1.374294
H 0.281508 4.018288 0.534730
H -1.957095 2.833829 1.518720
H -0.144217 2.365228 -2.066840
H -2.214486 1.234919 -1.121317
H 2.134846 2.224341 0.003731
H 2.249176 3.115338 -1.556681
H -1.664220 5.906424 -0.058542
H 0.047641 4.857566 -2.210613
H -4.082602 3.609804 0.683351
H 1.922577 0.272204 -1.256420
H -4.446366 0.604209 -0.513660
H -0.013399 -0.782664 0.659241
H 0.120388 -2.312653 -0.212448
H 1.389176 -3.342363 1.698775
H 1.133153 -1.900280 2.686425
H -5.250715 -3.671368 -0.766446
H -3.679226 -5.062776 0.266885
H 2.647407 -2.933614 -0.660192
H 2.799847 -0.156756 2.670938
H -6.694147 -1.968302 -1.591670
H 4.671436 -1.871230 -1.655528
H 4.858069 0.901970 1.685280


