%chk=000005690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005690

0 1
 O    2.705900      -2.520600      0.5476000    
 O    7.795300      0.9899000      -1.041400    
 O   -1.530400       2.915300      0.7591000    
 N    1.636800      0.1429000      0.6817000    
 N    5.137100      5.4200001E-02 -0.6421000    
 C    3.085200     -1.4900000E-02  0.7159000    
 C    3.685700      0.2243000     -0.6679000    
 C   0.8732000     -0.9810000      0.5561000    
 C    3.407900      -1.447600       1.234400    
 C   0.8482000       1.246800      0.7432000    
 C  -0.4545000     -0.6092000      0.4929000    
 C  -0.4637000      0.8128000      0.6232000    
 C    1.353200      -2.280100      0.4863000    
 C    5.759000       1.017000      0.2776000    
 C    5.704200      0.2059000      -1.989000    
 C    7.273400      0.8290000      0.2782000    
 C    7.219800      3.5900000E-02  -1.934700    
 C    1.399600       2.608600      0.8977000    
 C   -1.403400      -1.634700      0.3276000    
 C   0.4152000      -3.287000      0.2950000    
 C   -1.608500       1.681100      0.6283000    
 C  -0.9478000      -2.965700      0.2245000    
 C   -2.990900       1.132300      0.4871000    
 C   -3.520500      0.9999000     -0.7757000    
 C   -3.675700      0.7813000       1.623500    
 C   -4.818600      0.4849000     -0.9250000    
 C   -5.552300      0.1135000      0.2267000    
 C   -4.966500      0.2678000       1.493800    
 C   -5.404400      0.3302000      -2.192000    
 C   -6.850300     -0.4017000      7.7600002E-02
 C   -6.695300     -0.1830000      -2.321500    
 C   -7.416900     -0.5482000      -1.188900    
 H    3.436300      0.7067000       1.458900    
 H    3.416200       1.225800      -1.029700    
 H    3.249300     -0.4869000      -1.382000    
 H    4.477600      -1.671000       1.171200    
 H    3.148400      -1.521100       2.300400    
 H    5.438500      0.8739000       1.312500    
 H    5.516800       2.045000     -2.1600001E-02
 H    5.463100       1.197300      -2.394300    
 H    5.286700     -0.5487000      -2.665400    
 H    7.743200       1.585300      0.9152000    
 H    7.559200     -0.1561000      0.6671000    
 H    7.502500     -0.9765000      -1.621100    
 H    7.649800      0.2073000      -2.926600    
 H    1.058700       3.253400      8.0799997E-02
 H    1.066000       3.048100       1.843600    
 H    2.492100       2.640200      0.8908000    
 H   -2.469200      -1.457700      0.2654000    
 H   0.7295000      -4.323100      0.2092000    
 H   -1.674500      -3.763100      8.5500002E-02
 H   -2.941700       1.290400      -1.649500    
 H   -3.237900      0.8938000       2.610600    
 H   -5.511900     -1.1600000E-02   2.392800    
 H   -4.858700      0.6089000      -3.091100    
 H   -7.432600     -0.6938000      0.9491000    
 H   -7.136800     -0.2976000      -3.307200    
 H   -8.421700     -0.9477000      -1.290400    


%chk=000005690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005690

0 1
O 2.967272 -2.577424 0.757711
O 8.150658 1.053275 -0.641153
O -1.483915 2.523074 -0.875435
N 1.688550 -0.000897 0.486643
N 5.393607 0.215275 -0.301144
C 3.140719 -0.042634 0.746283
C 3.950419 0.068640 -0.578635
C 1.008229 -1.210539 0.321064
C 3.451797 -1.370683 1.486814
C 0.807606 1.052905 0.242523
C -0.347655 -0.958068 -0.022490
C -0.474693 0.506683 -0.051999
C 1.593389 -2.483061 0.422199
C 5.807304 1.622255 -0.055068
C 6.267896 -0.412464 -1.328662
C 7.283223 1.666257 0.376491
C 7.734696 -0.340650 -0.873935
C 1.246822 2.483230 0.339423
C -1.157236 -2.094225 -0.312317
C 0.787006 -3.596388 0.143146
C -1.637411 1.344488 -0.393833
C -0.575790 -3.379606 -0.228139
C -3.036524 0.837151 -0.157146
C -4.068610 1.322439 -0.973402
C -3.356489 -0.045511 0.931680
C -5.428521 0.937286 -0.761567
C -5.744571 0.046328 0.339080
C -4.676779 -0.420338 1.176031
C -6.493062 1.412841 -1.599274
C -7.110148 -0.330756 0.558185
C -7.813972 1.027649 -1.362050
C -8.124732 0.148279 -0.274454
H 3.421169 0.790478 1.418713
H 3.543492 0.911070 -1.186112
H 3.787348 -0.859721 -1.156103
H 4.542891 -1.492058 1.554284
H 2.992785 -1.363784 2.494251
H 5.180820 2.060714 0.745173
H 5.673622 2.247076 -0.973008
H 6.168398 0.096226 -2.318776
H 5.971268 -1.470525 -1.452755
H 7.636925 2.705320 0.479046
H 7.403226 1.132278 1.344122
H 7.864263 -0.930634 0.059130
H 8.412815 -0.724719 -1.653356
H 1.743839 2.816305 -0.592230
H 0.369689 3.134567 0.465951
H 1.952151 2.638455 1.177812
H -2.205454 -1.985157 -0.602286
H 1.202009 -4.606665 0.205549
H -1.194650 -4.255374 -0.453153
H -3.814294 2.021114 -1.778774
H -2.553443 -0.403849 1.583125
H -4.914134 -1.079228 2.019848
H -6.251266 2.087264 -2.429244
H -7.348146 -1.002955 1.391334
H -8.620027 1.396247 -2.005774
H -9.165484 -0.146157 -0.099336


