%chk=000004066.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004066

0 1
 S    2.977000     -0.1951000      -1.432500    
 N   -3.186300      0.7000000      -1.434900    
 N   0.6434000      7.0000002E-03  0.6115000    
 C   -3.175100     -0.3908000      0.9259000    
 C   -1.764000     -0.4238000      0.2951000    
 C   -1.803300      0.3361000      -1.050300    
 C   -3.683800       1.059100      0.9868000    
 C   -4.110800      -1.150500     -3.2099999E-02
 C   -3.714600       1.650300     -0.4317000    
 C   -4.027400     -0.5164000      -1.430600    
 C  -0.6909000      0.1225000       1.214100    
 C    1.358800       1.208000      0.3743000    
 C    1.141600      -1.299100      0.3742000    
 C    2.452700       1.238300     -0.5133000    
 C    2.213800      -1.517000     -0.5137000    
 C    1.037200       2.413300       1.036000    
 C   0.6178000      -2.431000       1.036300    
 C    3.163700       2.430400     -0.7391000    
 C    2.708800      -2.813600     -0.7399000    
 C    1.750200       3.594200      0.8116000    
 C    1.117100      -3.716900      0.8116000    
 C    2.812600       3.603500     -7.9300001E-02
 C    2.161400      -3.908800     -7.9999998E-02
 H   -3.183600     -0.8535000       1.918300    
 H   -1.561800      -1.474900      5.9999999E-02
 H   -1.200200       1.251400      -1.029700    
 H   -1.359300     -0.2865000      -1.837800    
 H   -3.060600       1.673800       1.643900    
 H   -4.695100       1.077700       1.411700    
 H   -5.142200      -1.109300      0.3384000    
 H   -3.827800      -2.208500     -8.3300002E-02
 H   -4.739900       1.937000     -0.6974000    
 H   -3.133500       2.580500     -0.4601000    
 H   -3.628600      -1.243400      -2.149200    
 H   -5.035000     -0.2716000      -1.788800    
 H  -0.7113000     -0.3680000       2.195200    
 H  -0.9838000       1.146100       1.435600    
 H   0.2697000       2.484500       1.799300    
 H  -0.1832000      -2.351200       1.765800    
 H    4.001800       2.457200      -1.432800    
 H    3.529100      -2.984200      -1.434400    
 H    1.481100       4.500300       1.346600    
 H   0.6892000      -4.564100       1.339600    
 H    3.370700       4.517800     -0.2562000    
 H    2.552300      -4.905700     -0.2589000    


%chk=000004066-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004066

0 1
S 2.633360 -0.061937 -1.798937
N -3.401950 0.548391 -1.538824
N 0.576445 0.103679 0.458241
C -3.270728 -0.375226 0.888178
C -1.866066 -0.465383 0.213561
C -1.996378 0.146604 -1.234019
C -3.789315 1.091507 0.906584
C -4.260432 -1.232308 0.051655
C -3.837080 1.607215 -0.579502
C -4.299239 -0.639114 -1.408344
C -0.774656 0.237589 1.053946
C 1.429309 1.249948 0.383161
C 1.139821 -1.200186 0.298332
C 2.470333 1.308074 -0.585919
C 2.159172 -1.429473 -0.667717
C 1.287401 2.351580 1.271376
C 0.725902 -2.297725 1.102007
C 3.329249 2.420761 -0.672479
C 2.755491 -2.696767 -0.816015
C 2.121441 3.485285 1.158604
C 1.297064 -3.577127 0.929244
C 3.145713 3.528516 0.187439
C 2.315632 -3.784938 -0.026905
H -3.215403 -0.767977 1.922206
H -1.609519 -1.539066 0.130145
H -1.351105 1.038862 -1.338050
H -1.670510 -0.577626 -2.001058
H -3.144500 1.735866 1.533625
H -4.796327 1.110859 1.365300
H -5.264033 -1.204920 0.517787
H -3.930515 -2.288871 0.041553
H -4.859699 1.919526 -0.859443
H -3.174523 2.480594 -0.721715
H -3.973840 -1.390478 -2.150501
H -5.322485 -0.323619 -1.681974
H -0.798090 -0.128359 2.104912
H -1.004313 1.315317 1.085275
H 0.536610 2.318742 2.066479
H -0.038009 -2.151140 1.871177
H 4.127916 2.425198 -1.421909
H 3.549999 -2.833043 -1.557416
H 1.979871 4.325925 1.846659
H 0.951395 -4.407758 1.554405
H 3.799305 4.402514 0.102804
H 2.765186 -4.774415 -0.158127


