%chk=000021788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021788

0 1
 O   0.1906000      0.3996000     -0.1714000    
 O  -0.6859000       1.206800       1.807700    
 N    3.880900      0.2238000     -0.2183000    
 C   -2.145500      0.5736000     -1.2200000E-02
 C   -2.249300     -0.9193000     -0.3185000    
 C   -3.285100      0.9945000      0.9338000    
 C   -2.184700       1.381100      -1.322600    
 C   -3.558000      -1.231400      -1.056700    
 C   -2.138200      -1.745800      0.9699000    
 C   -3.354200       2.507100       1.148200    
 C   -2.261900       2.890600      -1.090400    
 C   -3.710100      -2.726600      -1.327200    
 C   -2.292500      -3.240200      0.6959000    
 C   -3.422200       3.261800     -0.1743000    
 C   -3.590200      -3.545400     -4.5600001E-02
 C  -0.8145000      0.7733000      0.6708000    
 C    1.515200      0.5387000      0.3522000    
 C    2.508700      8.2500003E-02 -0.7044000    
 C    4.220100     -0.8797000      0.6911000    
 C    4.821300      0.2912000      -1.345700    
 C    5.635900     -0.7209000       1.247300    
 C    6.256900      0.4886000     -0.8559000    
 C    6.662600     -0.6042000      0.1264000    
 H   -1.428700      -1.229000     -0.9818000    
 H   -4.267500      0.7056000      0.5534000    
 H   -3.187500      0.5447000       1.927800    
 H   -3.072000       1.142100      -1.915000    
 H   -1.322200       1.162200      -1.963400    
 H   -3.604500     -0.7439000      -2.033600    
 H   -4.444500     -0.9273000     -0.4956000    
 H   -2.916000      -1.478500       1.692000    
 H   -1.172600      -1.595500       1.464600    
 H   -2.494900       2.863000       1.726200    
 H   -4.242300       2.746600       1.745500    
 H   -2.376000       3.404200      -2.052100    
 H   -1.320800       3.246600     -0.6538000    
 H   -4.680200      -2.921200      -1.798800    
 H   -2.939900      -3.049300      -2.038900    
 H   -1.440400      -3.591600      0.1008000    
 H   -2.270200      -3.793700       1.641600    
 H   -3.411900       4.340900      1.5699999E-02
 H   -4.371100       3.035700     -0.6761000    
 H   -4.443900      -3.327500      0.6079000    
 H   -3.635700      -4.613700     -0.2850000    
 H    1.690100       1.590700      0.6089000    
 H    1.586500     -6.7800000E-02   1.260800    
 H    2.346000      0.7158000      -1.587500    
 H    2.286100     -0.9401000      -1.036900    
 H    4.136900      -1.847600      0.1790000    
 H    3.538700     -0.9080000       1.547600    
 H    4.567600       1.139000      -1.993800    
 H    4.761400     -0.6181000      -1.958200    
 H    5.683600      0.1736000       1.881400    
 H    5.881900      -1.577700       1.884700    
 H    6.942800      0.4904000      -1.710600    
 H    6.348100       1.468600     -0.3704000    
 H    6.737800      -1.562300     -0.4024000    
 H    7.652100     -0.3873000      0.5433000    


%chk=000021788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021788

0 1
O 0.160779 0.538325 -0.189125
O -0.698636 1.114604 1.885976
N 3.890002 0.170263 -0.233231
C -2.263867 0.610287 -0.003958
C -2.394723 -0.946276 -0.292351
C -3.387766 1.147584 0.929961
C -2.276772 1.413903 -1.344995
C -3.739845 -1.354357 -0.952578
C -2.159002 -1.824816 0.967905
C -3.338068 2.682872 1.131149
C -2.180761 2.941493 -1.124052
C -3.747878 -2.859419 -1.319962
C -2.166457 -3.332559 0.618090
C -3.327219 3.443935 -0.215219
C -3.481800 -3.746075 -0.081517
C -0.899799 0.804827 0.688268
C 1.534306 0.647982 0.379740
C 2.484364 0.111650 -0.698570
C 4.242987 -0.954257 0.673554
C 4.862391 0.285972 -1.351055
C 5.651964 -0.764911 1.270836
C 6.291794 0.515193 -0.818930
C 6.704949 -0.616737 0.149829
H -1.584755 -1.182866 -1.016409
H -4.362889 0.880188 0.477560
H -3.331091 0.650172 1.915064
H -3.229196 1.200893 -1.868466
H -1.454440 1.061433 -1.993450
H -3.931859 -0.755776 -1.862836
H -4.576420 -1.157328 -0.251932
H -2.953532 -1.621671 1.714456
H -1.198439 -1.564104 1.452491
H -2.433743 2.942241 1.712539
H -4.209416 2.997099 1.738514
H -2.211271 3.458404 -2.103112
H -1.203744 3.194757 -0.663200
H -4.718016 -3.127134 -1.782517
H -2.964385 -3.052703 -2.082109
H -1.311683 -3.552514 -0.055433
H -2.013915 -3.933427 1.535853
H -3.228540 4.532367 -0.036920
H -4.295499 3.289829 -0.736800
H -4.324691 -3.638425 0.632565
H -3.443555 -4.813627 -0.373975
H 1.749688 1.705394 0.611566
H 1.576947 0.071105 1.320442
H 2.381638 0.744913 -1.598702
H 2.169184 -0.921100 -0.988270
H 4.204466 -1.932795 0.122940
H 3.497062 -1.009204 1.486971
H 4.556530 1.134658 -1.990937
H 4.856072 -0.636172 -1.992171
H 5.651221 0.144185 1.902513
H 5.893197 -1.627029 1.922083
H 6.995025 0.577766 -1.671753
H 6.320118 1.485798 -0.286882
H 6.781507 -1.571411 -0.411464
H 7.704176 -0.414098 0.579417


