%chk=000004945.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004945

0 1
 O  -0.1513000      -1.206500       1.359800    
 N   -4.234300     -0.8559000      6.0699999E-02
 C  -0.3376000     -0.6802000      3.7099998E-02
 C   -1.784200      -1.119000     -0.4340000    
 C   0.7770000      -1.285000     -0.8756000    
 C   -2.878300     -0.5408000      0.5058000    
 C  -0.2201000      0.8531000      6.5399997E-02
 C   -1.940500      -2.649200     -0.5403000    
 C    2.203000     -0.9821000     -0.4565000    
 C  -0.3354000       1.536600      -1.118900    
 C  -5.7999999E-03   1.467400       1.273600    
 C   -4.500500     -0.2458000      -1.241800    
 C   -5.215200     -0.4027000       1.046700    
 C    2.821700      0.1520000     -0.9486000    
 C    2.847900      -1.847600      0.4073000    
 C  -0.2290000       2.927300      -1.093200    
 C   0.1004000       2.858000       1.299100    
 C  -1.1200000E-02   3.587800      0.1156000    
 C    4.132900      0.4307000     -0.5630000    
 C    4.159100      -1.568600      0.7930000    
 C    4.801500     -0.4295000      0.3077000    
 H   -1.920900     -0.7186000      -1.444800    
 H   0.6372000     -0.9835000      -1.921900    
 H   0.6967000      -2.378900     -0.8840000    
 H   -2.770800      0.5457000      0.6044000    
 H   -2.726700     -0.9643000       1.507300    
 H   -2.943400      -2.924500     -0.8830000    
 H   -1.250200      -3.076500      -1.272200    
 H   -1.777000      -3.142600      0.4225000    
 H  -4.8300002E-02  -2.170500       1.297300    
 H  -0.5082000       1.041400      -2.068300    
 H   8.4600002E-02  0.9344000       2.213400    
 H   -4.291900      0.8303000      -1.250400    
 H   -5.553100     -0.3828000      -1.517800    
 H   -3.932100     -0.7257000      -2.043700    
 H   -5.185700      0.6835000       1.191500    
 H   -5.040800     -0.8851000       2.015000    
 H   -6.228900     -0.6821000      0.7383000    
 H    2.327100      0.8186000      -1.646600    
 H    2.357600      -2.737400      0.7909000    
 H  -0.3166000       3.495700      -2.014500    
 H   0.2697000       3.373000       2.240200    
 H   7.1300000E-02   4.670500      0.1355000    
 H    4.635100       1.314600     -0.9453000    
 H    4.680100      -2.238500       1.470800    
 H    5.822900     -0.2132000      0.6069000    


%chk=000004945-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004945

0 1
O -0.163214 -1.150352 1.311970
N -4.226551 -0.829319 0.030619
C -0.341302 -0.650141 -0.066044
C -1.772207 -1.127798 -0.499438
C 0.777474 -1.276791 -0.981255
C -2.837745 -0.597588 0.502206
C -0.248815 0.893191 -0.104520
C -1.905292 -2.660934 -0.633147
C 2.188051 -1.058006 -0.450903
C -0.389160 1.590225 -1.333966
C -0.029063 1.645866 1.073679
C -4.642726 0.111939 -1.028114
C -5.199948 -0.862049 1.140427
C 2.932923 0.110548 -0.763275
C 2.781711 -2.028104 0.402988
C -0.302593 2.998530 -1.384685
C 0.063914 3.056074 1.027046
C -0.070614 3.739980 -0.202151
C 4.229389 0.303270 -0.237856
C 4.079007 -1.835614 0.933441
C 4.806732 -0.666863 0.615393
H -1.963664 -0.666902 -1.490273
H 0.675623 -0.856961 -1.998251
H 0.582407 -2.360355 -1.045611
H -2.657014 0.484378 0.712476
H -2.697669 -1.138617 1.454945
H -2.979743 -2.906847 -0.701942
H -1.405475 -3.059191 -1.534642
H -1.484711 -3.161797 0.257444
H 0.806866 -1.122480 1.529081
H -0.569397 1.035550 -2.263415
H 0.050425 1.118147 2.029285
H -4.672871 1.176526 -0.680106
H -5.650448 -0.159982 -1.391444
H -3.950618 0.057702 -1.886316
H -5.289487 0.112383 1.686197
H -4.904893 -1.635709 1.871103
H -6.200931 -1.122796 0.749727
H 2.491493 0.872131 -1.415772
H 2.234683 -2.952879 0.625577
H -0.416292 3.516887 -2.343910
H 0.236409 3.619290 1.951499
H -0.000903 4.832975 -0.239436
H 4.789711 1.209940 -0.492991
H 4.520816 -2.598150 1.584973
H 5.813512 -0.515804 1.020790


