%chk=000016380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016380

0 1
 O    2.144400      0.3931000      0.6335000    
 O   -2.099500      -1.166000      -1.634600    
 O   -1.311300      0.8043000       1.169500    
 O   0.3683000       2.250400      0.6371000    
 O    5.515000     -0.3364000       2.194400    
 N  -0.7543000      -1.825000      0.1426000    
 N    4.367800     -9.5200002E-02  0.2068000    
 N   -5.398300      -3.105000      0.2264000    
 N   -6.005900       1.287100      9.7900003E-02
 N    6.677000      0.5505000      0.4580000    
 N   -4.545000       2.209900      -1.512000    
 N   -5.480300       3.646000      3.8699999E-02
 N    7.861500       1.460400      -1.324400    
 C   0.4205000      -1.077500     -0.2334000    
 C   0.8305000     -0.1059000      0.8773000    
 C   -4.427700      -2.169900     -0.3496000    
 C    3.135500     -0.6345000      0.7157000    
 C   -3.016600      -2.672400     -3.7000000E-03
 C    1.524100      -2.048800     -0.5368000    
 C   -4.665700     -0.7445000      0.1874000    
 C    2.770000      -1.850700     -8.4100001E-02
 C   -1.923600      -1.803600     -0.5985000    
 C   -5.859700     -3.8500000E-02 -0.4578000    
 C  -2.6600000E-02   1.118200      0.8726000    
 C    4.414800      0.3200000      -1.113900    
 C    5.525100      2.2299999E-02   1.015400    
 C   -6.897500       1.414500       1.258800    
 C   -5.360900       2.427900     -0.4251000    
 C    5.512200      0.8316000      -1.668100    
 C    6.706600      0.9379000     -0.7901000    
 H   0.2177000     -0.5223000      -1.158100    
 H   0.7955000     -0.5501000       1.880800    
 H   -4.546000      -2.168900      -1.440200    
 H    3.250700     -0.9197000       1.767300    
 H   -2.864800      -3.687700     -0.3914000    
 H   -2.893300      -2.714900       1.086200    
 H    1.305900      -2.930600      -1.132500    
 H   -3.779000     -0.1225000      2.6200000E-02
 H   -4.796500     -0.7778000       1.278100    
 H  -0.7026000      -2.410700      0.9715000    
 H    3.534800      -2.593900     -0.2930000    
 H   -6.772600     -0.6176000     -0.2702000    
 H   -5.769600     -2.2600001E-02  -1.549500    
 H   -6.342000      -2.835300     -4.6799999E-02
 H   -5.246200      -4.036800     -0.1577000    
 H    3.506200      0.2264000      -1.699200    
 H   -7.147100      0.4397000       1.691100    
 H   -6.419100       2.007600       2.045000    
 H   -7.827900       1.907000      0.9597000    
 H    5.555700       1.162900      -2.696900    
 H   -1.892200       1.594800       1.169100    
 H   -4.306700       1.288800      -1.857000    
 H   -4.057100       2.983500      -1.951600    
 H   -4.902200       4.273400     -0.5307000    
 H    8.700600       1.551500     -0.7618000    
 H    7.916000       1.769700      -2.289200    


%chk=000016380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016380

0 1
O 1.936154 0.423949 0.369938
O -2.370922 -0.995857 -1.285477
O -1.519482 0.830665 1.119307
O -0.270235 1.825185 -0.572075
O 5.500038 -1.287057 1.417300
N -0.842107 -2.123671 0.052364
N 4.238567 0.123882 0.044272
N -5.568940 -3.360960 0.426946
N -5.629573 1.423680 -0.062091
N 6.659753 0.230547 0.034291
N -3.292147 1.780989 -0.494661
N -4.738958 3.576608 0.308193
N 7.754119 1.714865 -1.372118
C 0.338298 -1.346531 -0.369461
C 0.609804 -0.145306 0.610173
C -4.634778 -2.350670 -0.127818
C 3.028180 -0.506664 0.639071
C -3.192167 -2.824408 0.167980
C 1.559108 -2.248060 -0.425722
C -4.927238 -0.955369 0.497945
C 2.774619 -1.882786 0.047341
C -2.121816 -1.898665 -0.419370
C -5.522992 0.034886 -0.539899
C -0.407482 0.963906 0.336585
C 4.155325 1.095396 -0.928430
C 5.522908 -0.361608 0.550455
C -6.921109 1.853558 0.498706
C -4.571525 2.331622 -0.083767
C 5.306007 1.656012 -1.451294
C 6.566540 1.186728 -0.918949
H 0.105522 -0.934303 -1.370442
H 0.514831 -0.499401 1.656658
H -4.721513 -2.252478 -1.236109
H 3.224249 -0.595316 1.728041
H -3.043905 -3.842640 -0.248945
H -3.071161 -2.910897 1.265048
H 1.410296 -3.238434 -0.875333
H -3.998438 -0.521186 0.907500
H -5.615656 -1.073317 1.356155
H -0.708363 -2.818535 0.791164
H 3.632618 -2.561974 0.043880
H -6.541474 -0.290137 -0.826980
H -4.919815 -0.015328 -1.466368
H -6.539781 -3.034707 0.479962
H -5.508476 -4.280387 -0.025811
H 3.147636 1.397293 -1.222494
H -7.242484 1.171798 1.309912
H -6.793384 2.870162 0.899631
H -7.705468 1.872747 -0.283317
H 5.246418 2.433787 -2.214781
H -2.346453 1.333126 0.626873
H -3.284509 0.900721 -1.039850
H -2.671543 2.477422 -0.930713
H -3.869560 4.136736 0.297803
H 8.617251 1.360790 -0.962703
H 7.783814 2.443693 -2.079316


