%chk=000097409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097409

0 1
 O   -3.585600       2.024700      -1.187700    
 O   -4.232700       2.562300      0.9692000    
 N  -2.8000001E-02  -1.997600     -0.5007000    
 N    1.890600       1.209300     -0.2442000    
 C   -2.500300      -1.825000     -0.3247000    
 C   -2.405200     -0.2826000     -0.4251000    
 C   0.1020000     -0.5415000     -0.7857000    
 C   -1.000200      0.2217000     -3.7700001E-02
 C   -1.304600      -2.505300      -1.013200    
 C   -2.649400      -2.265900       1.143400    
 C    1.476000     -8.2999997E-02 -0.4003000    
 C    1.112900      -2.768700      -1.040000    
 C   -3.457600      0.3914000      0.4179000    
 C    2.562200     -0.9110000     -0.2094000    
 C    2.433600      -2.389000     -0.3302000    
 C   -3.895200      -1.650200       1.787400    
 C   -4.132900     -0.2196000       1.402300    
 C    3.679600     -9.2699997E-02  0.1079000    
 C    3.231000       1.232400      7.9899997E-02
 C   -3.810600       1.785100      0.1286000    
 C    5.031900     -0.3438000      0.4147000    
 C    4.073500       2.318300      0.3445000    
 C    5.883700      0.7337000      0.6828000    
 C    5.409800       2.043300      0.6477000    
 C   -3.884500       3.353700      -1.627400    
 H   -3.407100      -2.149000     -0.8564000    
 H   -2.565500     -4.9600001E-02  -1.486200    
 H  -9.7000003E-03 -0.3668000      -1.865700    
 H  -0.8467000      0.1354000       1.047300    
 H  -0.9280000       1.293200     -0.2668000    
 H   -1.375000      -3.586700     -0.8410000    
 H   -1.370400      -2.353100      -2.098800    
 H   -1.764700      -1.976000       1.723700    
 H   -2.716600      -3.358700       1.207600    
 H    1.206800      -2.600400      -2.121400    
 H   0.9516000      -3.843500     -0.8920000    
 H    3.280700      -2.804500     -0.8871000    
 H    2.447700      -2.827500      0.6752000    
 H   -3.807800      -1.724600       2.877300    
 H   -4.779100      -2.231600       1.498100    
 H   -4.907800      0.3009000       1.959100    
 H    1.308700       2.029300     -0.3468000    
 H    5.416000      -1.359400      0.4453000    
 H    3.706400       3.338800      0.3166000    
 H    6.927300      0.5449000      0.9205000    
 H    6.089200       2.865300      0.8586000    
 H   -4.945100       3.574100      -1.473500    
 H   -3.664300       3.415500      -2.696400    
 H   -3.258000       4.077300      -1.097200    


%chk=000097409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097409

0 1
O -3.260118 2.239877 -1.064056
O -4.834494 2.396914 0.644387
N -0.028420 -2.037216 -0.537546
N 1.858882 1.227674 -0.367335
C -2.516536 -1.901228 -0.298740
C -2.445242 -0.354230 -0.456969
C 0.075875 -0.578269 -0.834544
C -1.036053 0.182920 -0.071500
C -1.323774 -2.566407 -1.021231
C -2.608483 -2.299738 1.193028
C 1.464433 -0.117339 -0.474278
C 1.140183 -2.815870 -1.027087
C -3.538793 0.326073 0.358411
C 2.550653 -0.942707 -0.199913
C 2.422353 -2.443772 -0.245709
C -3.879545 -1.708314 1.844690
C -4.174862 -0.297431 1.396880
C 3.678521 -0.083744 0.101513
C 3.214599 1.278601 -0.012853
C -3.962083 1.720678 0.042772
C 5.034011 -0.318273 0.452999
C 4.059662 2.385331 0.214241
C 5.882543 0.783742 0.681000
C 5.401105 2.121018 0.563871
C -3.643576 3.614319 -1.459495
H -3.442961 -2.250402 -0.803448
H -2.601263 -0.106550 -1.526638
H -0.095498 -0.403827 -1.936155
H -0.860459 0.072472 1.013280
H -0.996030 1.261463 -0.315323
H -1.343119 -3.657387 -0.837376
H -1.436528 -2.413497 -2.128512
H -1.703671 -1.947959 1.719603
H -2.617569 -3.402611 1.288302
H 1.313775 -2.645614 -2.120952
H 0.911731 -3.888923 -0.890542
H 3.299512 -2.907689 -0.738762
H 2.362889 -2.863899 0.777988
H -3.801234 -1.732570 2.950485
H -4.765543 -2.336471 1.603919
H -4.960595 0.259181 1.927069
H 1.249929 2.032220 -0.497479
H 5.415936 -1.341226 0.548539
H 3.695385 3.415300 0.126041
H 6.930461 0.615521 0.954043
H 6.084901 2.957138 0.748813
H -4.711578 3.650190 -1.732801
H -3.005879 3.848200 -2.324069
H -3.464832 4.317632 -0.628565


