%chk=000099578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099578

0 1
 O   -2.872900      -2.653200     -0.7035000    
 O    6.651000      0.3938000     -0.7547000    
 O  -0.3655000      -2.479400      0.4547000    
 N    1.887800      0.1008000      7.3700003E-02
 C   0.8329000      2.5500000E-02   1.074600    
 C  -0.5297000     -9.4300002E-02  0.4455000    
 C    3.196000      0.2245000      0.7052000    
 C    4.293100      0.2666000     -0.3536000    
 C   -2.498700      0.9723000     -0.4326000    
 C   -1.235500       1.065300      0.1516000    
 C   -1.064700      -1.344700      0.1656000    
 C   -2.327900      -1.437600     -0.4186000    
 C   -3.044800     -0.2791000     -0.7177000    
 C    5.674800      0.3738000      0.2775000    
 C   -3.266800       2.210200     -0.7510000    
 C   -4.148800       2.665200      0.3827000    
 C   -3.663300      -3.263800      0.3145000    
 C    7.965800      0.5121000     -0.2278000    
 C   -5.482700       2.742000      0.3137000    
 H    1.001200     -0.8172000       1.757600    
 H   0.8503000      0.9240000       1.706200    
 H    3.374300     -0.6242000       1.376800    
 H    3.237600       1.142200       1.304100    
 H    1.871300     -0.7395000     -0.5043000    
 H    4.255300     -0.6324000     -0.9825000    
 H    4.138300       1.114400      -1.033500    
 H  -0.8088000       2.040300      0.3735000    
 H   -4.029400     -0.3578000      -1.172700    
 H    5.856600     -0.4843000      0.9351000    
 H    5.746900       1.294000      0.8691000    
 H   -2.573600       3.024600     -0.9988000    
 H   -3.857100       2.052000      -1.663300    
 H   -3.660000       2.963200       1.307200    
 H  -0.8782000      -3.247100      0.1485000    
 H   -4.547300      -2.654400      0.5276000    
 H   -3.078100      -3.407300       1.228400    
 H   -3.991900      -4.241800     -4.7300000E-02
 H    8.198200     -0.3399000      0.4185000    
 H    8.073200       1.448300      0.3286000    
 H    8.671700      0.5196000      -1.062600    
 H   -6.058100       3.086000       1.166100    
 H   -6.020400       2.464200     -0.5860000    


%chk=000099578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099578

0 1
O -3.453482 -2.746385 0.889903
O 6.507081 1.566433 -0.759394
O -0.872487 -3.023802 1.469659
N 2.016696 -0.129622 0.231346
C 1.112803 -0.996101 1.020714
C -0.349278 -0.783736 0.654290
C 3.434635 -0.201070 0.640953
C 4.303290 0.717141 -0.240912
C -2.175679 0.627749 -0.242618
C -0.815675 0.429346 0.084106
C -1.286574 -1.808673 0.897879
C -2.658945 -1.618162 0.576027
C -3.109127 -0.413270 0.011402
C 5.780679 0.685538 0.161236
C -2.645242 1.934867 -0.886509
C -3.880005 2.527394 -0.231949
C -4.886587 -2.663770 0.612310
C 7.934274 1.624088 -0.457815
C -5.039978 2.818017 -0.874226
H 1.351227 -2.082198 0.933490
H 1.261596 -0.742981 2.091365
H 3.842750 -1.245046 0.606486
H 3.499924 0.126961 1.698561
H 1.909357 -0.303249 -0.778795
H 4.223862 0.410138 -1.302922
H 3.925988 1.753236 -0.172675
H -0.078038 1.219290 -0.092890
H -4.166139 -0.258016 -0.228739
H 6.187824 -0.350440 0.096807
H 5.910782 1.039502 1.210350
H -1.816116 2.668342 -0.830957
H -2.854475 1.776891 -1.963941
H -3.796085 2.723894 0.848031
H -1.672137 -3.609762 1.548997
H -5.073101 -2.515553 -0.468656
H -5.353757 -1.840404 1.185791
H -5.305943 -3.628442 0.934184
H 8.411695 0.623327 -0.541214
H 8.121276 2.020921 0.563833
H 8.382210 2.303970 -1.199730
H -5.894736 3.258558 -0.348518
H -5.162263 2.631978 -1.949161


