%chk=000046564.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046564

1 1
 O   -2.943300      -1.102400     -5.8200002E-02
 O   -3.314500       1.176700      0.2136000    
 N    2.559700     -8.3300002E-02 -0.1226000    
 N   -5.091100     -0.3110000      0.1010000    
 C    3.171400     -0.1264000       1.276200    
 C    3.246300      -1.147800     -0.9739000    
 C    2.793900       1.309100     -0.7013000    
 C    1.054800     -0.3622000     -0.1048000    
 C    4.659500      0.1293000       1.177400    
 C    3.004800      -2.509300     -0.3596000    
 C   0.4131000     -0.3391000      -1.297500    
 C   0.4910000     -0.6088000       1.102000    
 C    2.112700       2.383800      8.0100000E-02
 C  -0.9583000     -0.5933000      -1.281600    
 C  -0.8804000     -0.8631000       1.118200    
 C   -1.605100     -0.8554000     -7.3700003E-02
 C    1.206700       3.221700     -0.4359000    
 C   -3.756100      3.7400000E-02  9.7000003E-02
 C   -6.165200      0.6441000      0.2437000    
 H    2.713700      0.6352000       1.915400    
 H    3.002900      -1.101900       1.742400    
 H    2.825100      -1.110300      -1.984800    
 H    4.306800     -0.9153000      -1.096900    
 H    3.866300       1.501100     -0.7821000    
 H    2.447000       1.301400      -1.742200    
 H    5.063300      9.1600001E-02   2.198400    
 H    5.222900     -0.6335000      0.6369000    
 H    4.935800       1.120900      0.8155000    
 H    3.583800      -2.677200      0.5525000    
 H    3.359000      -3.269900      -1.066600    
 H    1.956600      -2.748700     -0.1669000    
 H   0.8867000     -0.1386000      -2.250400    
 H   0.9845000     -0.6281000       2.062800    
 H    2.420600       2.561700       1.106100    
 H   -1.517200     -0.5859000      -2.213600    
 H   -1.379300      -1.066100       2.062000    
 H   0.7768000       4.009300      0.1732000    
 H   0.8771000       3.137800      -1.465500    
 H   -5.331600      -1.292000     -2.4999999E-03
 H   -6.744400      0.3757000       1.130500    
 H   -5.782900       1.662500      0.3445000    
 H   -6.804000      0.5732000     -0.6400000    


%chk=000046564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046564

1 1
O -3.070022 -0.323681 0.664328
O -3.905425 0.137062 -1.539009
N 2.621638 -0.033445 -0.097931
N -5.302876 -0.301884 0.304596
C 3.382352 -0.259321 1.231154
C 3.072796 -1.085238 -1.156722
C 2.986519 1.393599 -0.675445
C 1.110782 -0.115704 0.104820
C 4.910951 -0.219216 1.126264
C 2.789972 -2.535926 -0.760908
C 0.272864 0.029461 -1.024748
C 0.533933 -0.319856 1.378102
C 2.790337 2.518232 0.307272
C -1.128683 -0.028673 -0.904945
C -0.866041 -0.380017 1.509443
C -1.702698 -0.234660 0.377522
C 1.743266 3.379116 0.253228
C -4.113964 -0.132105 -0.336340
C -6.593001 -0.181954 -0.391085
H 3.024362 0.522512 1.918873
H 3.050966 -1.236419 1.615316
H 2.544926 -0.824858 -2.087580
H 4.148653 -0.912978 -1.323623
H 4.036410 1.318485 -1.005396
H 2.348805 1.522960 -1.562063
H 5.313819 -0.346541 2.146779
H 5.328709 -1.037161 0.516386
H 5.299398 0.741425 0.749073
H 3.397813 -2.874649 0.094891
H 3.050495 -3.181586 -1.617948
H 1.723950 -2.702507 -0.533774
H 0.680646 0.187910 -2.028918
H 1.132365 -0.432916 2.283515
H 3.577990 2.673055 1.056974
H -1.767712 0.087251 -1.780947
H -1.325455 -0.537478 2.488953
H 1.659433 4.215727 0.954711
H 0.946059 3.282136 -0.493925
H -5.278008 -0.519345 1.302067
H -7.199165 0.630382 0.046528
H -6.399340 0.049949 -1.449401
H -7.158419 -1.128241 -0.331286


