%chk=000154448.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154448

0 1
 O   0.5626000      -1.568000     -0.5614000    
 O    3.012800      -2.918100     -0.8304000    
 O    4.096700      0.1222000       2.087000    
 O   -5.487500     -0.8209000     -0.3257000    
 N    3.238800      0.6246000      0.2206000    
 N    4.287700      0.7120000       1.016800    
 N   -6.691200       1.047500      0.2599000    
 C    3.297900     -0.5432000     -0.6480000    
 C    2.864100      -1.820500      7.4800000E-02
 C    3.007300       1.835000     -0.5861000    
 C    1.416500      -1.778400      0.5590000    
 C    4.127700       2.012600      -1.607000    
 C    2.907500       3.047200      0.3344000    
 C  -0.6133000     -0.9079000     -0.3233000    
 C   -3.002900      0.4304000      0.1614000    
 C   -1.228000      -1.022900      0.9189000    
 C   -1.182800     -0.1298000      -1.325400    
 C   -2.426300     -0.3517000       1.162000    
 C   -2.381100      0.5415000      -1.082300    
 C   -4.283600       1.148800      0.4212000    
 C   -5.522600      0.3397000      7.3500000E-02
 H    4.300200     -0.6988000      -1.075900    
 H    2.639600     -0.4255000      -1.521200    
 H    3.523500      -2.038900      0.9206000    
 H    2.048300       1.742900      -1.112500    
 H    1.154900      -2.744200       1.007500    
 H    1.320900     -0.9880000       1.313500    
 H    3.980900       2.951500      -2.154600    
 H    5.120300       2.070400      -1.146600    
 H    4.144000       1.220600      -2.362300    
 H    2.152600       2.893800       1.114300    
 H    2.599600       3.927900     -0.2412000    
 H    3.857900       3.300800      0.8172000    
 H    2.395400      -2.778800      -1.569000    
 H  -0.8293000      -1.645300       1.714100    
 H  -0.7012000     -4.0399998E-02  -2.294900    
 H   -2.905700     -0.4527000       2.132200    
 H   -2.820900       1.146600      -1.870700    
 H   -4.309500       2.086100     -0.1494000    
 H   -4.346600       1.435000       1.479000    
 H   -7.593400      0.6256000      6.6699997E-02
 H   -6.697000       2.006000      0.5937000    


%chk=000154448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154448

0 1
O 0.609947 -0.790771 -0.634466
O 2.338931 -3.018673 -1.002763
O 5.467455 -0.939697 1.009673
O -5.591375 0.360076 2.068204
N 3.895978 0.298823 -0.005010
N 4.927192 0.231359 0.908158
N -6.531804 -0.220416 0.028354
C 3.528044 -0.868055 -0.837990
C 2.656746 -1.916193 -0.087185
C 3.279902 1.642045 -0.241472
C 1.374525 -1.328643 0.510067
C 3.969910 2.344809 -1.435918
C 3.307611 2.514085 1.029159
C -0.678574 -0.272476 -0.390731
C -3.284441 0.826347 -0.106155
C -1.261703 -0.163465 0.895068
C -1.389194 0.163122 -1.533354
C -2.556136 0.385263 1.026249
C -2.681422 0.705287 -1.384668
C -4.681934 1.427085 0.045739
C -5.635142 0.489359 0.809224
H 4.451686 -1.381711 -1.158967
H 2.981058 -0.497655 -1.720953
H 3.257866 -2.371589 0.716797
H 2.225765 1.433479 -0.509477
H 0.792353 -2.128891 1.006083
H 1.599127 -0.523089 1.236953
H 3.452112 3.292757 -1.668205
H 5.021837 2.571263 -1.187488
H 3.954131 1.715609 -2.344209
H 2.842961 1.992778 1.884372
H 2.744117 3.444679 0.838119
H 4.339342 2.775254 1.312822
H 1.630480 -2.696418 -1.620383
H -0.728351 -0.496361 1.790185
H -0.922290 0.069261 -2.518881
H -3.017003 0.459663 2.017581
H -3.223421 1.042661 -2.276696
H -5.090142 1.688688 -0.947257
H -4.631315 2.358641 0.639024
H -7.159740 -0.880654 0.487292
H -6.550288 -0.142936 -0.986495


