%chk=000008270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008270

0 1
 O   -1.676800     -0.8659000      0.9722000    
 O   -1.203400      -3.351000     -0.4971000    
 O   -3.948700      0.8843000      0.5717000    
 N    3.508600      0.9985000      0.3996000    
 C   0.6653000     -0.2436000      0.6634000    
 C    1.554600     -0.1582000     -0.5221000    
 C    2.267700       1.175900     -0.3458000    
 C  -0.3333000      -1.416000      0.7581000    
 C    1.637800     -0.1134000       1.906400    
 C  -0.3173000      0.8718000      0.3492000    
 C    1.385200       2.265500      -1.000100    
 C    3.199600      1.5300000E-02   1.510700    
 C  -4.6000000E-02   2.048200     -0.4092000    
 C   -1.602200      0.4508000      0.5942000    
 C  -0.2997000      -2.307300     -0.4730000    
 C    1.526800      -1.045800      -1.522200    
 C   0.5762000      -2.140000      -1.481600    
 C   -1.119800       2.884400     -0.7020000    
 C    4.623600      0.5712000     -0.4299000    
 C   -2.674100       1.273500      0.3135000    
 C   -2.421100       2.507400     -0.3116000    
 C  -0.6592000      -4.499000      0.1235000    
 C   -4.643600      0.1933000     -0.4676000    
 H    2.797400       1.161800      -1.315500    
 H  -0.1196000      -2.038000       1.634700    
 H    1.544600     -0.9785000       2.572600    
 H    1.361900      0.7748000       2.489200    
 H    1.319700       2.200300      -2.094700    
 H    1.735800       3.261300     -0.7085000    
 H    3.765700      0.3079000       2.401900    
 H    3.538300     -0.9903000       1.225500    
 H    2.141800     -0.9315000      -2.407000    
 H   0.5715000      -2.812100      -2.334300    
 H  -0.9715000       3.801900      -1.263600    
 H    4.890400       1.336500      -1.168700    
 H    4.443600     -0.3765000     -0.9502000    
 H    5.514900      0.4363000      0.1940000    
 H   -3.252400       3.164900     -0.5581000    
 H   -1.396700      -5.304500      5.3100001E-02
 H  -0.4575000      -4.323600       1.185500    
 H   0.2527000      -4.835500     -0.3822000    
 H   -5.640800     -6.3600004E-02 -0.1000000    
 H   -4.119000     -0.7300000     -0.7331000    
 H   -4.748700      0.8337000      -1.348900    


%chk=000008270-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008270

0 1
O -1.561782 -1.083892 0.599939
O -1.131650 -3.569753 -1.103075
O -3.892741 1.028889 0.402045
N 3.255988 1.099365 0.422307
C 0.808908 -0.478051 0.242331
C 1.775328 -0.393444 -0.927102
C 2.557588 0.910703 -0.899080
C -0.170916 -1.692333 0.296197
C 1.590333 -0.287756 1.600078
C -0.156521 0.679848 -0.035020
C 1.594042 2.126324 -1.159029
C 3.089507 -0.035144 1.353571
C 0.194386 1.919837 -0.587183
C -1.475255 0.291100 0.246211
C -0.193379 -2.534238 -0.960478
C 1.705070 -1.278228 -1.963544
C 0.725032 -2.363787 -1.967890
C -0.862218 2.862903 -0.712876
C 4.645740 1.562888 0.280543
C -2.531949 1.223702 0.120259
C -2.181085 2.523720 -0.342969
C -1.819107 -4.077945 0.096759
C -4.379075 -0.343647 0.613860
H 3.310994 0.893784 -1.716321
H 0.005992 -2.326665 1.183667
H 1.476805 -1.192961 2.226489
H 1.165104 0.566630 2.155841
H 1.497245 2.273763 -2.254908
H 2.071049 3.034725 -0.744681
H 3.580947 0.229662 2.309106
H 3.574629 -0.973140 0.978858
H 2.356845 -1.163567 -2.838295
H 0.700298 -3.067210 -2.806808
H -0.664941 3.856607 -1.131192
H 4.675057 2.478443 -0.338190
H 5.325472 0.809022 -0.192297
H 5.057810 1.817723 1.274104
H -2.996297 3.246546 -0.449899
H -2.561082 -4.793003 -0.289079
H -2.324348 -3.264653 0.645062
H -1.111799 -4.608816 0.764056
H -5.459916 -0.233076 0.790217
H -3.893490 -0.809346 1.489157
H -4.200319 -0.970329 -0.278742


