%chk=000031807.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031807

0 1
 O    5.947200       1.162900      9.1000004E-03
 O   0.3079000      0.2658000     -0.6926000    
 O  -0.4107000      3.6100000E-02   1.483600    
 N    4.041700      -1.251300     -0.7284000    
 C    4.054000      0.1706000      -1.131900    
 C    3.522300      -1.200300      0.6497000    
 C    4.547800      0.9288000      0.1093000    
 C    4.244800     -5.7000001E-03   1.285300    
 C    2.585200      0.5159000      -1.452000    
 C    2.003100     -0.9702000      0.5285000    
 C    1.657500      0.3112000     -0.2449000    
 C    5.351100      -1.889300     -0.8189000    
 C   -2.890100       1.231400      0.1250000    
 C   -2.028200      6.1700001E-02 -0.3468000    
 C  -0.6433000      0.1238000      0.2847000    
 C   -2.163300       2.564500     -9.7900003E-02
 C   -4.249500       1.224500     -0.5869000    
 C   -3.026800       3.753600      0.3170000    
 C   -5.109700       2.415900     -0.1713000    
 C   -4.380500       3.738600     -0.3860000    
 C    6.460500       1.764300       1.189600    
 C   -2.698500      -1.280900     -0.1052000    
 C   -2.509200      -2.297600      -1.020300    
 C   -3.478300      -1.446300       1.022500    
 C   -3.124600      -3.529600     -0.7989000    
 C   -4.093500      -2.678300       1.244000    
 C   -3.916800      -3.720000      0.3333000    
 H    4.674100      0.3442000      -2.018700    
 H    3.697700      -2.129500       1.204200    
 H    4.041100       1.895700      0.2145000    
 H    3.624300      0.4890000       2.040200    
 H    5.143900     -0.3783000       1.784500    
 H    2.235300     -9.5500000E-02  -2.295300    
 H    2.506900       1.556100      -1.792700    
 H    1.537700      -1.837400      3.9700001E-02
 H    1.603700     -0.9465000       1.546700    
 H    1.762100       1.179400      0.4191000    
 H    5.272100      -2.943700     -0.5315000    
 H    6.117700      -1.428200     -0.1890000    
 H    5.707400      -1.873400      -1.854700    
 H   -3.059400       1.180400       1.207800    
 H   -1.900500      0.1735000      -1.434300    
 H   -1.890600       2.670500      -1.155900    
 H   -1.231800       2.609800      0.4774000    
 H   -4.825800      0.3175000     -0.3846000    
 H   -4.097800       1.260900      -1.673800    
 H   -2.502800       4.687900      8.5600004E-02
 H   -3.178900       3.733700       1.403200    
 H   -5.384100       2.316600      0.8862000    
 H   -6.043300       2.414500     -0.7452000    
 H   -4.235300       3.904800      -1.460500    
 H   -4.997900       4.564600     -1.5500000E-02
 H    6.654600       1.023900       1.969300    
 H    5.802400       2.555500       1.563500    
 H    7.422500       2.220100      0.9361000    
 H   -1.891800      -2.159300      -1.902800    
 H   -3.618000     -0.6812000       1.776200    
 H   -2.985900      -4.341100      -1.507300    
 H   -4.704000      -2.829800       2.129500    
 H   -4.394300      -4.679900      0.5069000    


%chk=000031807-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031807

0 1
O 5.981243 1.143581 0.313006
O 0.331679 0.085125 -0.679438
O -0.470555 0.479087 1.477286
N 4.250469 -1.253532 -0.874358
C 4.127688 0.231531 -0.998172
C 3.638970 -1.486921 0.472502
C 4.548260 0.810308 0.395913
C 4.238923 -0.357411 1.392054
C 2.642553 0.551195 -1.314611
C 2.102074 -1.352670 0.318117
C 1.743706 0.069651 -0.162543
C 5.631723 -1.778723 -1.020714
C -2.963759 1.366486 0.016282
C -2.059197 0.159900 -0.403020
C -0.683877 0.268133 0.258048
C -2.304004 2.720248 -0.357474
C -4.368723 1.259882 -0.628694
C -3.199803 3.921494 0.028803
C -5.267095 2.459207 -0.243227
C -4.603238 3.807057 -0.610486
C 6.465018 1.866660 1.488318
C -2.677189 -1.200526 -0.050486
C -3.062879 -2.096314 -1.078206
C -2.892095 -1.575850 1.301461
C -3.662839 -3.337953 -0.767235
C -3.490194 -2.816222 1.613729
C -3.881027 -3.701367 0.581308
H 4.787143 0.621331 -1.790369
H 3.889204 -2.498671 0.834913
H 3.986400 1.735786 0.654600
H 3.548253 -0.063878 2.202203
H 5.181650 -0.703663 1.853301
H 2.367189 0.015592 -2.239561
H 2.497443 1.634614 -1.482888
H 1.765708 -2.084689 -0.437382
H 1.588433 -1.567667 1.273056
H 1.775396 0.771754 0.692354
H 5.607091 -2.877378 -0.905525
H 6.365629 -1.353293 -0.301392
H 5.990679 -1.554049 -2.040661
H -3.075344 1.331578 1.120452
H -1.900147 0.201251 -1.496459
H -2.117411 2.740487 -1.452599
H -1.319881 2.814707 0.141068
H -4.854495 0.312108 -0.331141
H -4.255489 1.230205 -1.733968
H -2.713180 4.868462 -0.275917
H -3.304737 3.955699 1.132986
H -5.458298 2.433397 0.849791
H -6.251797 2.366629 -0.741474
H -4.508749 3.878452 -1.714228
H -5.242679 4.651559 -0.287416
H 6.398033 1.255783 2.412966
H 5.894819 2.807855 1.643538
H 7.521402 2.107166 1.288551
H -2.893721 -1.819158 -2.125861
H -2.572058 -0.901984 2.104430
H -3.957189 -4.018700 -1.574142
H -3.648424 -3.094798 2.661930
H -4.345306 -4.663642 0.825083


