%chk=000044741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044741

0 1
 O    4.319600     -0.1992000       1.831500    
 O  -0.9821000      -4.522300     -0.7503000    
 N   -1.689500      0.9695000     -0.2342000    
 N  -0.8737000       3.124800      0.3625000    
 C   -2.980600       1.503900     -0.6762000    
 C   -4.003800       1.452100      0.4551000    
 C  -0.6557000       1.830600      0.2138000    
 C   0.6629000       1.312400      0.5670000    
 C   -5.383700       1.957900      2.6500000E-02
 C    1.715400       1.236500     -0.3597000    
 C   -1.508800     -0.4365000     -0.3661000    
 C    2.967400      0.7237000      5.5399999E-02
 C   0.8424000      0.8891000       1.884200    
 C    3.130100      0.3021000       1.385100    
 C   -6.396100       1.832500       1.154500    
 C    1.552700       1.658000      -1.689500    
 C    2.073600      0.3848000       2.292500    
 C   -1.054900     -0.9577000      -1.570300    
 C   -1.788000      -1.266500      0.7110000    
 C    4.019900      0.6477000     -0.8713000    
 C    2.609300       1.575400      -2.596800    
 C    3.840600       1.071200      -2.188500    
 C  -0.8769000      -2.335200      -1.699600    
 C   -1.609800      -2.643900      0.5818000    
 C   -1.154400      -3.178300     -0.6235000    
 C    4.509900      -1.606400       1.716600    
 C   -1.285900      -5.326400      0.3885000    
 H   -2.902400       2.509900      -1.101800    
 H   -3.356700      0.8975000      -1.512400    
 H   -3.644400       2.047500       1.303800    
 H   -4.108100      0.4237000      0.8196000    
 H   -5.313500       3.006600     -0.2845000    
 H   -5.737500       1.384600     -0.8382000    
 H   2.9500000E-02  0.9485000       2.603900    
 H   -6.513400      0.7886000       1.462600    
 H   -7.373400       2.202300      0.8290000    
 H   -6.085000       2.415800       2.026900    
 H   0.6088000       2.059300      -2.050200    
 H    2.204600      5.8300000E-02   3.320700    
 H  -0.8408000     -0.3104000      -2.416000    
 H   -2.137200     -0.8599000       1.656300    
 H    4.997500      0.2651000     -0.5872000    
 H    2.470600       1.905100      -3.622300    
 H    4.662900       1.008500      -2.895200    
 H  -0.5229000      -2.745500      -2.641400    
 H   -1.842400      -3.240300       1.457400    
 H   -1.834000       3.384400      0.1458000    
 H    3.806400      -2.138900       2.364500    
 H    4.387100      -1.938600      0.6809000    
 H    5.527600      -1.841900       2.039700    
 H   -2.345400      -5.258800      0.6578000    
 H  -0.6275000      -5.093700       1.232400    
 H   -1.092800      -6.367500      0.1099000    


%chk=000044741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044741

0 1
O 4.579730 -0.423541 1.472968
O -1.386288 -4.503126 -1.335162
N -1.596597 1.068791 -0.212757
N -0.969876 2.836983 1.351151
C -2.854935 1.751501 -0.607403
C -4.042634 1.487255 0.350800
C -0.702221 1.736846 0.668488
C 0.682920 1.169214 0.818911
C -5.332849 2.200164 -0.112743
C 1.547675 0.852968 -0.298172
C -1.515348 -0.350665 -0.462549
C 2.867039 0.310599 -0.041040
C 1.168045 1.005693 2.120588
C 3.294815 0.118502 1.324582
C -6.529641 1.930986 0.824741
C 1.184101 1.102923 -1.664088
C 2.462558 0.479111 2.390823
C -1.708213 -0.857993 -1.776200
C -1.283447 -1.268603 0.589273
C 3.738986 0.002477 -1.133698
C 2.057523 0.809568 -2.713693
C 3.341673 0.242362 -2.450926
C -1.669188 -2.238565 -2.028920
C -1.214987 -2.657889 0.343356
C -1.414974 -3.146846 -0.970458
C 5.083344 -0.609516 2.834908
C -1.104370 -5.477016 -0.279242
H -2.654347 2.837867 -0.682548
H -3.133904 1.407713 -1.620207
H -3.783823 1.816797 1.376799
H -4.221269 0.395340 0.405979
H -5.150807 3.292890 -0.174710
H -5.586442 1.867411 -1.140283
H 0.522815 1.305431 2.952440
H -6.751150 0.848787 0.882663
H -7.442539 2.445118 0.472528
H -6.316700 2.284875 1.850936
H 0.207452 1.548919 -1.872001
H 2.783989 0.363997 3.429548
H -1.866960 -0.165936 -2.610580
H -1.152243 -0.895127 1.609353
H 4.725685 -0.411635 -0.909251
H 1.757775 1.017808 -3.747066
H 4.016370 0.008279 -3.281754
H -1.810638 -2.635289 -3.038678
H -1.022491 -3.338113 1.178307
H -1.960998 3.144913 1.278566
H 5.149408 0.356110 3.372439
H 4.443312 -1.309060 3.406978
H 6.088905 -1.038419 2.714016
H -1.881130 -5.452644 0.510205
H -0.109349 -5.301912 0.174688
H -1.116264 -6.456306 -0.779903


