%chk=000060848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060848

0 1
 O    1.020100      -3.600800      0.6250000    
 O    6.562700       1.765900      -1.614900    
 N   -2.828400     -0.6822000     -3.5100002E-02
 N  -0.3308000      -1.727100      0.7572000    
 N    2.868600      -1.036800       1.310300    
 N   -4.749400     -0.9389000      -1.442300    
 N   -3.859400       1.765400      0.9259000    
 C   -2.633600      -2.141000      9.9999998E-03
 C   -1.615900      0.1273000     -0.2233000    
 C   -1.540400      -2.505000       1.013400    
 C  -0.5470000     -0.2777000      0.7896000    
 C   -4.056200     -0.2057000     -0.5092000    
 C   0.9029000      -2.375100      0.5768000    
 C    2.068100      -1.535800      0.3222000    
 C   -4.570000       1.014800     -2.9600000E-02
 C    2.558300      -1.109300     -0.8865000    
 C    3.709300     -0.3142000     -0.6257000    
 C    3.882100     -0.2851000      0.7598000    
 C   -5.790600       1.480400     -0.5059000    
 C    4.623700      0.3855000      -1.438000    
 C    4.927800      0.4114000       1.375900    
 C   -5.932400     -0.4544000      -1.882100    
 C   -6.491000      0.7378000      -1.450100    
 C   -4.087100       3.161500       1.147000    
 C    5.674500       1.086600     -0.8354000    
 C    5.822300       1.098000      0.5500000    
 C   -3.200000       3.692900       2.260000    
 C    7.612000       2.461600     -0.9451000    
 H   -2.358700      -2.499000     -0.9901000    
 H   -3.559000      -2.648900      0.3085000    
 H   -1.777700       1.206100     -0.1624000    
 H   -1.238300     -6.1299998E-02  -1.237300    
 H   -1.865300      -2.273100       2.034900    
 H   -1.337600      -3.579400      0.9680000    
 H   0.3726000      0.2761000      0.5906000    
 H  -0.8678000     -2.1199999E-02   1.806600    
 H    2.138700      -1.339600      -1.856600    
 H    2.739100      -1.193100       2.300600    
 H   -6.233700       2.411300     -0.1676000    
 H   -3.139000       1.289900       1.456600    
 H    4.514900      0.3813000      -2.519200    
 H    5.042600      0.4203000       2.454700    
 H   -6.438900      -1.070900      -2.617100    
 H   -7.444700       1.080200      -1.835200    
 H   -3.890300       3.729200      0.2303000    
 H   -5.124500       3.346100       1.447400    
 H    6.619000       1.625700       1.064800    
 H   -3.391400       3.165100       3.200300    
 H   -2.141200       3.561100       2.012600    
 H   -3.384400       4.759600       2.421000    
 H    8.270000       1.774000     -0.4028000    
 H    7.222100       3.258700     -0.3031000    
 H    8.222300       2.944100      -1.715700    


%chk=000060848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060848

0 1
O 1.189610 -2.999144 1.560417
O 6.756863 2.071988 -1.533930
N -2.894319 -0.491021 0.190636
N -0.298623 -1.258337 1.131258
N 3.396488 -1.473596 1.157312
N -4.501511 -1.078770 -1.496058
N -4.332833 1.838455 0.779087
C -2.510848 -1.927171 0.253144
C -1.706771 0.377442 -0.078032
C -1.465897 -2.138943 1.365772
C -0.662469 0.167815 1.033956
C -4.068708 -0.186446 -0.573209
C 0.980283 -1.795178 1.166039
C 2.153644 -0.989225 0.724575
C -4.776042 1.037166 -0.273623
C 2.375065 0.100687 -0.137958
C 3.802511 0.295306 -0.230619
C 4.421166 -0.716802 0.595327
C -5.914477 1.337529 -1.065749
C 4.617445 1.217451 -0.933991
C 5.822341 -0.811871 0.724002
C -5.627745 -0.789431 -2.217658
C -6.336313 0.417083 -2.054685
C -5.079770 3.009669 1.256161
C 6.016108 1.117401 -0.803708
C 6.618228 0.111158 0.017378
C -4.361277 3.659386 2.450253
C 8.214956 2.011854 -1.449164
H -2.103896 -2.274622 -0.719886
H -3.415510 -2.522015 0.460520
H -2.026097 1.433532 -0.105912
H -1.257615 0.121306 -1.064325
H -1.914895 -1.902147 2.352049
H -1.107781 -3.180494 1.385206
H 0.231674 0.782102 0.865274
H -1.111495 0.479158 2.002059
H 1.621601 0.662190 -0.686422
H 3.462758 -2.336644 1.699276
H -6.485496 2.254324 -0.890595
H -3.725655 1.353972 1.448838
H 4.196053 1.999391 -1.572314
H 6.289984 -1.578870 1.350125
H -5.944373 -1.548073 -2.941058
H -7.216397 0.627496 -2.670840
H -5.165081 3.745033 0.431210
H -6.118948 2.731639 1.546620
H 7.706580 0.046932 0.105056
H -4.277076 2.954102 3.298577
H -3.344656 3.986898 2.167710
H -4.922017 4.542161 2.802848
H 8.606519 1.047532 -1.829631
H 8.570722 2.171288 -0.411780
H 8.572994 2.831652 -2.089839


