%chk=000047832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047832

0 1
 O   -6.577200      -1.159200      -1.021300    
 O   -4.508700      -2.082000     -0.9641000    
 N   0.6966000      8.2099997E-02   1.415400    
 N    4.198100     -9.7300000E-02 -0.8815000    
 C   -4.815100      0.1460000     -2.2000000E-03
 C   -3.370900      0.1299000      0.3692000    
 C    1.884100      2.1199999E-02  0.6365000    
 C   -5.256100       1.337500     -0.8978000    
 C    2.435000      -1.221700      0.3084000    
 C    2.491200       1.204800      0.2047000    
 C  -0.6601000      9.7900003E-02   1.066400    
 C   -2.995500      0.1784000       1.711600    
 C   -2.395500      6.5600000E-02 -0.6259000    
 C    3.609300      -1.234400     -0.4631000    
 C    3.663300       1.097200     -0.5629000    
 C   -1.644600      0.1625000       2.059100    
 C   -1.044600      4.9699999E-02 -0.2785000    
 C   -5.255300      -1.147600     -0.7035000    
 C   -5.027000       2.687000     -0.2287000    
 C    1.845900      -2.426900      0.7288000    
 C    1.959300       2.467300      0.5196000    
 C    4.162700      -2.468700     -0.7930000    
 C    4.272500       2.272000     -0.9957000    
 C    2.419000      -3.647800      0.3855000    
 C    2.587500       3.626600      7.4600004E-02
 C    3.579800      -3.668200     -0.3770000    
 C    3.746500       3.528400     -0.6846000    
 H   -5.414500      0.1828000      0.9189000    
 H   -4.727900       1.315400      -1.858900    
 H   -6.324300       1.261900      -1.133800    
 H   0.8837000      0.1192000       2.413100    
 H   -3.742300      0.2292000       2.499400    
 H   -2.667400      2.6799999E-02  -1.677300    
 H   -1.367300      0.2009000       3.109800    
 H  -0.3067000     -8.9999998E-04  -1.075000    
 H   -5.543300       2.739200      0.7350000    
 H   -3.962600       2.878800     -6.2600002E-02
 H   -5.413700       3.490700     -0.8636000    
 H   0.9408000      -2.447000       1.330200    
 H    1.057200       2.580400       1.115200    
 H    5.072300      -2.511200      -1.389600    
 H    5.181800       2.221400      -1.592000    
 H    1.962700      -4.577100      0.7122000    
 H    2.175500       4.600500      0.3201000    
 H    4.035400      -4.615500     -0.6502000    
 H    4.244900       4.426800      -1.036600    
 H   -6.837200      -1.991400      -1.470900    


%chk=000047832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047832

0 1
O -5.690325 -2.402629 0.560753
O -4.955150 -2.016611 -1.605461
N 0.650189 0.739577 1.272493
N 4.305979 -0.156876 -0.825773
C -4.959092 -0.152921 0.037850
C -3.470750 0.043648 0.356813
C 1.818715 0.421707 0.543876
C -5.488764 0.859702 -1.023211
C 2.090061 -0.901172 0.060430
C 2.807441 1.445286 0.355662
C -0.703634 0.469936 0.944535
C -3.057026 0.449839 1.648621
C -2.474564 -0.146950 -0.636166
C 3.346150 -1.121250 -0.653738
C 4.053971 1.088657 -0.313010
C -1.695138 0.657691 1.945494
C -1.111859 0.067156 -0.356943
C -5.183619 -1.578634 -0.455395
C -5.411694 2.319790 -0.535328
C 1.230324 -2.030910 0.295589
C 2.619628 2.809672 0.772719
C 3.630247 -2.433516 -1.174677
C 5.072750 2.093648 -0.468584
C 1.552058 -3.291012 -0.201963
C 3.625284 3.758624 0.598264
C 2.754105 -3.492442 -0.962652
C 4.871449 3.393567 -0.015289
H -5.536101 -0.034668 0.972298
H -4.909924 0.732308 -1.956364
H -6.537986 0.601697 -1.267206
H 0.781988 1.392304 2.047884
H -3.805818 0.598050 2.435722
H -2.768147 -0.471296 -1.641296
H -1.395661 0.956816 2.957742
H -0.366086 -0.070174 -1.145373
H -6.020856 2.470665 0.376142
H -4.372053 2.609079 -0.299708
H -5.790424 3.009643 -1.310897
H 0.315655 -1.899098 0.879080
H 1.659760 3.123118 1.199413
H 4.569162 -2.554340 -1.723468
H 5.999866 1.786014 -0.961775
H 0.886651 -4.139157 -0.007633
H 3.461034 4.794706 0.913902
H 2.984017 -4.487713 -1.358637
H 5.654240 4.149656 -0.140554
H -5.788756 -3.329989 0.209219


