%chk=000018758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018758

0 1
 O   -5.520900     -0.5480000     -0.3665000    
 O    6.416200     -0.5701000      8.8399999E-02
 N   -4.442700     -0.5283000      0.5272000    
 C   -1.370000       1.081400     -0.4639000    
 C   -2.065800      0.1717000      0.5836000    
 C   0.1720000       1.028300     -0.5113000    
 C   0.7441000     -0.3994000     -0.3524000    
 C   -1.406200      -1.209300      0.7124000    
 C   -1.996300      0.6463000      -1.803500    
 C   0.1109000      -1.140300      0.8381000    
 C   -3.426200     -6.2000002E-03 -7.3899999E-02
 C   0.8082000       1.969800      0.5247000    
 C   -3.475400      0.4742000      -1.494500    
 C   -2.222100      0.8575000       1.942600    
 C    2.260500     -0.4100000     -0.2347000    
 C    2.313300       2.079500      0.2944000    
 C    2.987200      0.7462000      0.1033000    
 C    2.956100      -1.611500     -0.4572000    
 C    4.386400      0.6793000      0.2028000    
 C    4.345000      -1.666900     -0.3456000    
 C    5.060200     -0.5213000     -1.4800000E-02
 C   -6.634500      -1.123000      0.3007000    
 H   -1.680100       2.124500     -0.3021000    
 H   0.4795000       1.406000      -1.498500    
 H   0.4933000     -0.9513000      -1.269200    
 H   -1.653000      -1.833000     -0.1577000    
 H   -1.816700      -1.744800       1.578200    
 H   -1.574100     -0.3031000      -2.152700    
 H   -1.835800       1.390300      -2.590600    
 H   0.3885000     -0.6662000       1.787100    
 H   0.4959000      -2.166400      0.8942000    
 H   0.6305000       1.611600       1.542900    
 H   0.3665000       2.971200      0.4598000    
 H   -3.936400     -0.2455000      -2.175000    
 H   -4.006400       1.430400      -1.534300    
 H   -2.727100       1.825200       1.843000    
 H   -2.830200      0.2512000       2.624100    
 H   -1.261400       1.027500       2.433200    
 H    2.761000       2.605400       1.146400    
 H    2.498600       2.685800     -0.6013000    
 H    2.413800      -2.516600     -0.7210000    
 H    4.954800       1.574100      0.4482000    
 H    4.855200      -2.609900     -0.5223000    
 H    6.714100      -1.477500     -9.6000001E-02
 H   -6.907200     -0.5218000       1.173500    
 H   -6.407000      -2.149200      0.6057000    
 H   -7.480600      -1.141800     -0.3911000    


%chk=000018758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018758

0 1
O -5.708415 -0.536643 -0.294185
O 6.522622 -0.493193 0.237634
N -4.505513 -0.437630 0.566830
C -1.364643 1.066209 -0.535418
C -2.103402 0.150277 0.511160
C 0.190489 1.045613 -0.517496
C 0.774968 -0.392583 -0.397288
C -1.425938 -1.260753 0.570490
C -1.974510 0.651308 -1.908012
C 0.101409 -1.176625 0.767723
C -3.489682 -0.010207 -0.138864
C 0.816142 1.967848 0.560498
C -3.468013 0.367523 -1.611261
C -2.209138 0.761521 1.928634
C 2.300028 -0.388572 -0.254915
C 2.333346 2.115267 0.326567
C 3.032224 0.774232 0.123967
C 3.015145 -1.591168 -0.481222
C 4.436366 0.699566 0.281268
C 4.414406 -1.669986 -0.333019
C 5.124521 -0.509278 0.057599
C -6.814088 -1.016904 0.543300
H -1.688112 2.111371 -0.335826
H 0.519399 1.454966 -1.499200
H 0.527157 -0.946449 -1.328797
H -1.632857 -1.812547 -0.369327
H -1.900708 -1.841218 1.384053
H -1.479502 -0.260746 -2.291769
H -1.837369 1.440082 -2.668982
H 0.348629 -0.699356 1.735705
H 0.526462 -2.197720 0.813275
H 0.634777 1.563133 1.573735
H 0.335863 2.965062 0.523771
H -3.918352 -0.422141 -2.239100
H -4.096765 1.268231 -1.758774
H -2.594042 1.796832 1.883538
H -2.909761 0.168653 2.542069
H -1.231016 0.782380 2.439298
H 2.805413 2.659920 1.166525
H 2.497466 2.739541 -0.577313
H 2.463321 -2.489142 -0.786909
H 5.012634 1.583138 0.577157
H 4.941970 -2.614782 -0.518744
H 6.906247 -1.388033 0.062980
H -7.021657 -0.311695 1.368764
H -6.590895 -2.015971 0.960541
H -7.680923 -1.073332 -0.136261


