%chk=000048845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048845

0 1
 O    1.085000     -0.1415000     -0.9963000    
 O    1.488700     -0.4244000       1.356500    
 O  -0.6732000       1.733800       1.834200    
 N   -4.446300      0.8536000     -0.6646000    
 N  -0.9201000       2.034000     -0.4572000    
 C    1.788600      0.3642000      0.1719000    
 C    1.294500       1.792900      0.4283000    
 C    3.294000      0.3802000     -8.4299996E-02
 C   -2.993000      0.7479000     -0.6692000    
 C   0.4316000      -1.221500     -0.4879000    
 C   0.6624000      -1.383100      0.8571000    
 C  -0.1932000       1.846600      0.7095000    
 C   -2.362300       2.120200     -0.4837000    
 C   -5.050900     -0.3105000      -1.315400    
 C   -4.949800      0.9876000      0.7038000    
 C    3.779000      0.5291000      -1.383800    
 C    4.184200      0.2455000      0.9811000    
 C  -0.3814000      -2.083100      -1.194300    
 C   9.3500003E-02  -2.415900       1.573000    
 C    5.154000      0.5432000      -1.617500    
 C    5.559200      0.2598000      0.7472000    
 C   -4.726700      -1.589900     -0.5631000    
 C   -6.458500       1.165900      0.7188000    
 C  -0.9699000      -3.138800     -0.4940000    
 C  -0.7336000      -3.304200      0.8821000    
 C    6.044100      0.4086000     -0.5520000    
 H    1.794800       2.226700       1.304000    
 H    1.522300       2.446000     -0.4241000    
 H   -2.635100      0.3548000      -1.630600    
 H   -2.620700      6.5099999E-02  0.1053000    
 H   -2.680400       2.603100      0.4447000    
 H   -2.628200       2.782600      -1.315200    
 H  -0.4317000       2.092500      -1.345900    
 H   -6.132900     -0.1977000      -1.440400    
 H   -4.666900     -0.3908000      -2.340900    
 H   -4.540000       1.898500       1.154100    
 H   -4.651500      0.1717000       1.371800    
 H    3.106900      0.6469000      -2.229100    
 H    3.832100      0.1394000       2.003400    
 H  -0.5630000      -1.949800      -2.254600    
 H   0.2775000      -2.538600       2.634100    
 H    5.532100      0.6619000      -2.628800    
 H    6.252600      0.1578000       1.577000    
 H   -3.656200      -1.771000     -0.4465000    
 H   -5.206800      -1.648500      0.4176000    
 H   -5.115600      -2.439500      -1.137700    
 H   -6.783400       1.929700      3.8000001E-03
 H   -6.994800      0.2352000      0.5108000    
 H   -6.778500       1.496000       1.713700    
 H   -1.618100      -3.837900      -1.015300    
 H   -1.200800      -4.130300       1.411300    
 H    7.114800      0.4210000     -0.7340000    


%chk=000048845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048845

0 1
O 1.267827 0.113715 -1.489528
O 1.059406 -0.369888 0.848130
O -0.859274 2.774498 1.213968
N -4.623253 0.642036 -0.152180
N -1.042532 1.715331 -0.853762
C 1.716385 0.578126 -0.118813
C 1.204785 2.000500 0.142195
C 3.234522 0.454905 -0.014439
C -3.151284 0.507226 -0.231051
C 0.821383 -1.224144 -1.297971
C 0.693161 -1.499210 0.080458
C -0.324161 2.181624 0.227518
C -2.513134 1.763592 -0.883749
C -5.369255 -0.612503 -0.417063
C -5.067496 1.409788 1.040591
C 4.047875 0.650233 -1.156445
C 3.833604 0.213514 1.246061
C 0.477243 -2.154943 -2.279437
C 0.206962 -2.724299 0.543873
C 5.454358 0.598240 -1.038109
C 5.239913 0.162448 1.359987
C -5.216854 -1.743459 0.639079
C -6.504998 1.948466 0.917025
C -0.010789 -3.412479 -1.823057
C -0.143883 -3.688810 -0.442219
C 6.053903 0.357228 0.219660
H 1.616827 2.340841 1.106325
H 1.624799 2.655447 -0.644758
H -2.902963 -0.380496 -0.844268
H -2.676885 0.354107 0.766284
H -2.829141 2.666699 -0.334937
H -2.859957 1.853770 -1.927907
H -0.530802 1.204207 -1.579134
H -6.440373 -0.361085 -0.529362
H -5.036926 -0.992552 -1.402611
H -4.376568 2.264876 1.156504
H -4.972034 0.811658 1.981310
H 3.577112 0.820549 -2.130122
H 3.197169 0.048419 2.121689
H 0.581542 -1.929441 -3.344194
H 0.102557 -2.926971 1.612855
H 6.080784 0.742519 -1.925326
H 5.700080 -0.030765 2.335295
H -4.158737 -2.043728 0.753761
H -5.592802 -1.429953 1.630004
H -5.791599 -2.636009 0.327660
H -6.613218 2.535546 -0.012198
H -7.255637 1.137425 0.902252
H -6.740484 2.602539 1.776810
H -0.283328 -4.176615 -2.558041
H -0.520566 -4.664968 -0.119881
H 7.145136 0.317247 0.309964


