%chk=000042464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042464

0 1
 O   0.6758000      -1.762900     -1.6000000E-03
 O   -4.319200      0.5831000      6.9999998E-04
 O    3.286900       1.677100       1.101200    
 O    3.288200       1.677200      -1.101300    
 N    2.834000       1.341000     -3.0000001E-04
 C    1.907800     -0.9923000      7.9999998E-04
 C    1.688600      0.4933000     -8.9999998E-04
 C    2.662700      -1.444900       1.260200    
 C    2.668300      -1.447100      -1.254600    
 C  -0.6660000      0.2774000     -8.9999998E-04
 C  -0.5290000      -1.114700     -1.1000000E-03
 C   0.5174000       1.125100     -1.9000000E-03
 C   -1.946500      0.8439000     -3.9999999E-04
 C   -1.663900      -1.930300     -8.9999998E-04
 C   -3.077300      2.6000001E-02 -9.9999997E-05
 C   -2.936100      -1.360000     -6.9999998E-04
 C   -4.391600       2.008000      1.4000000E-03
 H    2.130700      -1.135200       2.167800    
 H    2.727400      -2.538900       1.301200    
 H    3.681800      -1.046900       1.303000    
 H    2.733300      -2.541200      -1.293100    
 H    2.140100      -1.139200      -2.164900    
 H    3.687500      -1.049100      -1.293500    
 H   0.4095000       2.203800     -2.4999999E-03
 H   -2.004700       1.928000     -1.9999999E-04
 H   -1.563500      -3.012700     -1.1000000E-03
 H   -3.813100      -2.001400     -6.0000003E-04
 H   -3.954600       2.433300      0.9113000    
 H   -5.453100       2.277000      2.0999999E-03
 H   -3.955800       2.434100     -0.9087000    


%chk=000042464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042464

0 1
O 0.686049 -1.757398 -0.003928
O -4.436258 0.569347 0.001422
O 3.498518 1.656411 1.138556
O 3.492592 1.661306 -1.145663
N 2.994522 1.326414 -0.002975
C 2.005577 -1.022182 0.000784
C 1.766160 0.492368 -0.001571
C 2.730504 -1.485197 1.283793
C 2.739965 -1.487722 -1.275807
C -0.672012 0.314782 -0.000988
C -0.552286 -1.099239 -0.002008
C 0.554828 1.104884 -0.002040
C -1.962067 0.910520 0.000191
C -1.705669 -1.914005 -0.002032
C -3.113985 0.094621 0.000321
C -2.979425 -1.319267 -0.000839
C -4.629965 2.019228 0.002438
H 2.179242 -1.163533 2.182355
H 2.790216 -2.586625 1.278359
H 3.753548 -1.074497 1.335747
H 2.798190 -2.589202 -1.268454
H 2.196332 -1.166546 -2.179159
H 3.764009 -1.078586 -1.320002
H 0.487331 2.198750 -0.003339
H -2.037317 2.002640 0.000888
H -1.591420 -3.001459 -0.002983
H -3.886716 -1.930250 -0.000768
H -4.191976 2.484860 0.907490
H -5.719746 2.165122 0.003228
H -4.193142 2.485955 -0.902615


