%chk=000004315.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004315

0 1
 O    5.138400     -0.3422000       1.342000    
 O    6.545600      0.6367000     -0.3519000    
 O   -1.383800       2.318600      0.9881000    
 O   -7.484500     -0.2995000      6.1200000E-02
 O   -6.799700       1.432300      -1.263500    
 N   -2.552300     -0.6218000      0.4466000    
 N   0.4235000       2.081800     -0.4516000    
 N   -5.217100      9.4599999E-02 -0.1936000    
 N  -0.3598000      -1.397100     -0.1113000    
 N    1.785100      -2.149500     -0.6058000    
 N    1.271000      -1.749900       1.627500    
 N    2.652300      -2.634600      -2.592000    
 C   -2.829700      0.4537000     -0.4240000    
 C   -1.719500       1.201600      -1.114700    
 C    1.404900       2.752200      0.3709000    
 C    2.787600       2.210200      0.1500000    
 C   -4.113400      0.7743000     -0.7127000    
 C  -0.8985000       1.920800     -6.9700003E-02
 C   -3.653400      -1.317000      0.9372000    
 C   -1.235800      -1.012200      0.8398000    
 C    4.524100      0.6806000      0.6873000    
 C    3.246800       1.144000      0.9270000    
 C   -4.917600     -0.9775000      0.6416000    
 C    5.327700       1.239600     -0.2799000    
 C    3.608700       2.781500     -0.8381000    
 C    4.898300       2.293000      -1.060600    
 C  -0.9365000     -0.9706000       2.186400    
 C    6.418500     -0.3648000      0.6780000    
 C   -6.524500      0.4861000     -0.5261000    
 C   0.8575000      -1.747800      0.3459000    
 C   0.3448000      -1.354200       2.525300    
 C    3.071100      -2.544600     -0.3663000    
 C    1.579400      -2.219900      -1.955600    
 C    3.585700      -2.839400      -1.606900    
 C   -8.844900      4.1099999E-02 -0.2306000    
 H   -1.104400      0.5171000      -1.707700    
 H   -2.101700       1.962600      -1.805800    
 H    1.122700       2.667300       1.427000    
 H    1.364800       3.819600      0.1237000    
 H   -4.339900       1.589500      -1.392800    
 H   -3.433900      -2.160900       1.582500    
 H   0.7078000       1.774900      -1.377700    
 H    2.630600      0.7030000       1.701300    
 H   -5.743100      -1.546000       1.053400    
 H    3.245700       3.609900      -1.441500    
 H    5.534400       2.730300      -1.821700    
 H   -1.641700     -0.6513000       2.943700    
 H    7.204200     -0.2024000       1.424700    
 H    6.561300      -1.353100      0.2258000    
 H   0.6737000      -1.350700       3.559000    
 H    3.509400      -2.594000      0.6212000    
 H   0.6424000      -1.961300      -2.432000    
 H    4.580700      -3.188900      -1.840300    
 H   -9.064800       1.053800      0.1204000    
 H   -9.035000     -4.7800001E-02  -1.304300    
 H   -9.491900     -0.6625000      0.2999000    


%chk=000004315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004315

0 1
O 4.959664 -0.422444 1.344063
O 6.722537 0.778884 0.252061
O -1.262295 2.370737 0.733705
O -7.464518 -0.180064 0.250551
O -6.733138 0.747078 -1.790052
N -2.553678 -0.525429 0.700781
N 0.492351 2.019746 -0.756861
N -5.212156 0.068738 -0.131826
N -0.435398 -1.333699 0.005958
N 1.654083 -2.114606 -0.742550
N 1.204714 -2.233243 1.574281
N 2.445440 -2.288642 -2.862179
C -2.798336 0.252084 -0.498286
C -1.654367 0.914500 -1.231405
C 1.429805 2.937516 -0.074823
C 2.848444 2.389388 -0.019715
C -4.082120 0.515074 -0.874727
C -0.801876 1.822639 -0.313425
C -3.678415 -0.692710 1.568954
C -1.317565 -1.086422 1.029526
C 4.439602 0.725359 0.691319
C 3.120626 1.174861 0.682082
C -4.949994 -0.435715 1.171693
C 5.481434 1.434202 0.050759
C 3.899944 3.092587 -0.657017
C 5.245088 2.628993 -0.628799
C -0.956660 -1.416096 2.377559
C 6.367537 -0.522173 0.878421
C -6.493191 0.253598 -0.658951
C 0.761505 -1.878925 0.335316
C 0.309518 -1.979732 2.583909
C 2.998036 -2.523061 -0.631128
C 1.373007 -1.988073 -2.116289
C 3.464969 -2.619958 -1.936829
C -8.858432 -0.021652 -0.221559
H -1.005632 0.165620 -1.713504
H -2.089710 1.556498 -2.020009
H 1.007895 3.100562 0.934266
H 1.432573 3.919856 -0.587104
H -4.315149 1.137041 -1.738398
H -3.490186 -1.075166 2.568894
H 0.826551 1.518518 -1.583271
H 2.329306 0.621221 1.195371
H -5.809712 -0.586032 1.820290
H 3.673847 4.021720 -1.192302
H 6.053491 3.177657 -1.117954
H -1.592535 -1.192343 3.234678
H 7.021207 -0.693091 1.746764
H 6.439202 -1.319344 0.113667
H 0.648689 -2.234618 3.592996
H 3.453353 -2.675184 0.342179
H 0.386268 -1.720381 -2.480105
H 4.455917 -2.906051 -2.280996
H -9.077604 1.041208 -0.416955
H -9.016811 -0.602723 -1.145181
H -9.475824 -0.409108 0.600859


