%chk=000003095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003095

0 1
 O    1.089000      0.6113000      -1.705900    
 O   -4.723300       1.485100      4.9899999E-02
 O   -5.242900      -1.012200     -0.5141000    
 N    5.194700     -0.5225000      -1.270800    
 C    5.778700     -0.1718000      2.7000001E-02
 C    3.890100      0.1233000      -1.496800    
 C    4.883200     -0.6994000       1.155500    
 C    2.948900      1.2900000E-02 -0.3119000    
 C    3.431500     -0.3447000      0.9596000    
 C    1.580700      0.2831000     -0.4729000    
 C   0.7066000      0.1982000      0.6109000    
 C    7.180000     -0.7723000      0.1312000    
 C    4.064700       1.580900      -1.943700    
 C    2.543200     -0.4368000       2.040500    
 C    1.187700     -0.1608000       1.866900    
 C  -0.7078000      0.4740000      0.4534000    
 C   -1.624200     -0.5414000      0.1184000    
 C   -1.151700       1.786600      0.6432000    
 C   -2.996000     -0.2237000     -2.4599999E-02
 C   -2.500500       2.099100      0.5023000    
 C   -3.417900       1.101600      0.1707000    
 C   -1.202200      -1.866400     -7.7100001E-02
 C  -0.2063000       2.890200      0.9999000    
 C   -3.905300      -1.240600     -0.3588000    
 C   -2.119300      -2.863900     -0.4090000    
 C   -3.468300      -2.551800     -0.5495000    
 C   -5.154500       1.906600      -1.240700    
 C   -6.058600      -1.144800      0.6464000    
 H    5.877600      0.9176000      0.1093000    
 H    3.437200     -0.4211000      -2.336000    
 H    5.235200     -0.2876000       2.109800    
 H    4.955000      -1.793200       1.220500    
 H    5.075500      -1.535300      -1.317300    
 H    7.639000     -0.5146000       1.091800    
 H    7.160000      -1.865100      5.0500002E-02
 H    7.829600     -0.3873000     -0.6628000    
 H    4.429100       2.218400      -1.130600    
 H    4.778900       1.648500      -2.772300    
 H    3.124200       2.015000      -2.297200    
 H    2.904400     -0.7286000       3.023400    
 H   0.5209000     -0.2372000       2.722600    
 H   0.1350000      0.7818000      -1.680600    
 H   -2.850000       3.118400      0.6501000    
 H  -0.1620000      -2.166100      1.9099999E-02
 H   0.5502000       3.025200      0.2201000    
 H  -0.7256000       3.849800       1.103900    
 H   0.2832000       2.691500       1.958700    
 H   -1.780100      -3.884800     -0.5582000    
 H   -4.174200      -3.336200     -0.8094000    
 H   -4.783700       2.916100      -1.443500    
 H   -6.247700       1.929100      -1.247200    
 H   -4.813000       1.224800      -2.026500    
 H   -6.211700      -2.204800      0.8721000    
 H   -7.030400     -0.6893000      0.4370000    
 H   -5.616100     -0.6444000       1.513900    


%chk=000003095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003095

0 1
O 1.244561 0.939039 -1.669766
O -4.820684 1.610858 -0.125523
O -5.462721 -1.143905 -0.336567
N 5.323051 -0.264967 -1.304966
C 5.893962 -0.210782 0.067100
C 4.014192 0.429001 -1.439772
C 4.950325 -0.878423 1.104042
C 3.038099 0.093642 -0.299628
C 3.483965 -0.497063 0.912980
C 1.655030 0.375401 -0.442260
C 0.704633 0.101814 0.576847
C 7.292038 -0.850624 0.072507
C 4.223220 1.961698 -1.563249
C 2.546659 -0.776254 1.942140
C 1.179191 -0.482509 1.777185
C -0.741269 0.455580 0.372515
C -1.720279 -0.581995 0.115402
C -1.148014 1.805044 0.467246
C -3.134725 -0.251931 -0.031447
C -2.525425 2.123659 0.268148
C -3.490754 1.147196 0.015866
C -1.304060 -1.950525 -0.013090
C -0.164155 2.920229 0.778641
C -4.065554 -1.344872 -0.212695
C -2.229206 -2.966476 -0.250428
C -3.618093 -2.663148 -0.333765
C -5.338279 1.626920 -1.511315
C -6.173174 -0.878207 0.933173
H 5.995977 0.860948 0.327183
H 3.559129 0.090448 -2.390089
H 5.270900 -0.625130 2.134211
H 5.050921 -1.981758 1.011587
H 5.261508 -1.243160 -1.627890
H 7.744390 -0.813323 1.080575
H 7.237777 -1.914532 -0.233074
H 7.956167 -0.325414 -0.634953
H 4.656151 2.385876 -0.639372
H 4.913615 2.167657 -2.398988
H 3.259657 2.462134 -1.756985
H 2.897788 -1.228335 2.877472
H 0.464492 -0.698409 2.579189
H 0.252781 1.010619 -1.675713
H -2.859611 3.165358 0.317532
H -0.239363 -2.183065 0.077294
H 0.537492 3.096043 -0.059026
H -0.691920 3.867311 0.980473
H 0.454784 2.670832 1.658848
H -1.894405 -4.003687 -0.357847
H -4.363794 -3.448510 -0.491722
H -4.684389 2.249082 -2.153323
H -6.338031 2.082963 -1.442868
H -5.420870 0.599830 -1.906740
H -6.005777 -1.710667 1.644245
H -7.239557 -0.824108 0.664410
H -5.847648 0.082996 1.367448


