%chk=000168979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168979

0 1
 O   -3.805800      -1.377000       1.564100    
 O   -3.426300       2.402000      -1.113800    
 O   -4.080200       2.766700       1.076700    
 N   5.4000001E-03  -1.802400     -0.6863000    
 N    2.080700       1.277000     -0.1970000    
 C   -2.452200      -1.526700     -0.5080000    
 C   -2.280200      1.2300000E-02 -0.5322000    
 C   0.2164000     -0.3398000     -0.8795000    
 C  -0.8603000      0.4352000     -0.1077000    
 C   -1.286800      -2.204800      -1.250200    
 C   -2.652300      -1.997000      0.9574000    
 C    1.604000      2.0800000E-02 -0.4431000    
 C    1.114100      -2.596900      -1.257900    
 C    2.642200     -0.8734000     -0.2887000    
 C    2.440400      -2.332200     -0.5071000    
 C   -3.309900      0.6443000      0.3556000    
 C    3.793500     -0.1369000      9.9500000E-02
 C   -2.873600      -3.502700       1.077700    
 C   -3.982900     -4.9100000E-02   1.280100    
 C    3.414100       1.209000      0.1499000    
 C   -3.656500       2.055300      0.1783000    
 C    5.124800     -0.4777000      0.4121000    
 C    4.305600       2.230100      0.4980000    
 C    6.025100      0.5343000      0.7635000    
 C    5.619800       1.866600      0.8050000    
 C   -3.719200       3.763000      -1.446500    
 H   -3.376300      -1.763600      -1.056700    
 H   -2.430500      0.3181000      -1.575900    
 H   0.1366000     -9.5299996E-02  -1.948800    
 H  -0.7220000      0.2922000      0.9734000    
 H  -0.7401000       1.512300     -0.2849000    
 H   -1.405700      -3.292300      -1.198000    
 H   -1.334300      -1.946800      -2.317100    
 H   -1.782400      -1.735200       1.572800    
 H    1.234900      -2.366600      -2.325100    
 H   0.8953000      -3.669000      -1.180300    
 H    3.274600      -2.754500      -1.078300    
 H    2.415200      -2.834400      0.4679000    
 H    1.543600       2.131200     -0.2554000    
 H   -1.981800      -4.071200      0.8013000    
 H   -3.136400      -3.768800       2.107800    
 H   -3.709300      -3.825900      0.4474000    
 H   -4.773100      0.3545000       1.899100    
 H    5.455600      -1.512000      0.3833000    
 H    3.992100       3.268200      0.5301000    
 H    7.052700      0.2763000       1.005900    
 H    6.336200       2.636600       1.079900    
 H   -3.494400       3.909700      -2.506200    
 H   -3.092900       4.439400     -0.8572000    
 H   -4.779800       3.973900      -1.279400    


%chk=000168979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168979

0 1
O -3.793841 -1.412248 1.608166
O -3.104958 2.613581 -0.962441
O -4.725564 2.628022 0.721540
N 0.003035 -1.835989 -0.711532
N 2.060446 1.305350 -0.302064
C -2.475120 -1.585544 -0.509353
C -2.320033 -0.036555 -0.554285
C 0.193318 -0.366427 -0.907591
C -0.893632 0.400562 -0.116266
C -1.305068 -2.256146 -1.263120
C -2.600707 -2.077051 0.950276
C 1.596797 -0.006848 -0.496293
C 1.139648 -2.643153 -1.234303
C 2.633713 -0.905590 -0.267003
C 2.425907 -2.391482 -0.412811
C -3.406348 0.609708 0.288766
C 3.802841 -0.129175 0.095939
C -2.845792 -3.573958 1.125056
C -4.060940 -0.109686 1.260043
C 3.413650 1.260635 0.063933
C -3.834939 2.002537 0.086446
C 5.140426 -0.458281 0.439776
C 4.314567 2.304075 0.364128
C 6.044683 0.580131 0.740189
C 5.636640 1.946202 0.703539
C -3.493108 4.009835 -1.257174
H -3.416119 -1.859507 -1.030536
H -2.454669 0.289714 -1.604624
H 0.055432 -0.114404 -1.998270
H -0.741535 0.219224 0.963118
H -0.801117 1.489024 -0.291291
H -1.380416 -3.356013 -1.191933
H -1.396000 -1.992663 -2.350562
H -1.717343 -1.761143 1.535020
H 1.339627 -2.410939 -2.311514
H 0.853574 -3.709443 -1.171983
H 3.284609 -2.868998 -0.924863
H 2.329351 -2.874877 0.579753
H 1.496355 2.148186 -0.383431
H -1.927095 -4.143696 0.904436
H -3.134722 -3.785205 2.168729
H -3.655823 -3.927391 0.462294
H -4.883262 0.313491 1.845419
H 5.466045 -1.504305 0.473425
H 4.006868 3.355662 0.337555
H 7.079790 0.339486 1.007597
H 6.362907 2.731123 0.942800
H -2.841510 4.315675 -2.088692
H -3.336800 4.650291 -0.372377
H -4.556071 4.061002 -1.548132


