%chk=000128332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128332

0 1
 O    2.441500      -1.680000     -0.5361000    
 O   -1.274700     -1.3400000E-02   1.146800    
 O   -1.032300       1.470900       2.886500    
 O    3.337700     -0.8038000       1.388500    
 N    1.252900     -0.1518000      0.6057000    
 C   0.9259000      0.7949000       1.642400    
 C    3.611000      -2.489000     -0.7054000    
 C    1.449800       2.198200       1.302800    
 C   0.8288000       2.824200      7.4600004E-02
 C    4.823700      -1.568900     -0.8388000    
 C    3.419900      -3.313500      -1.976500    
 C    3.751100      -3.401900      0.5118000    
 C  -0.5614000      0.8049000       1.970100    
 C    2.430700     -0.8715000      0.5655000    
 C    1.407100       2.623300      -1.178800    
 C  -0.3228000       3.602300      0.1947000    
 C   -2.681900     -7.6399997E-02   1.400400    
 C   0.8341000       3.200700      -2.312100    
 C  -0.8957000       4.179400     -0.9387000    
 C   -3.315800      -1.013500      0.4147000    
 C  -0.3173000       3.978600      -2.192000    
 C   -3.788300     -0.5280000     -0.8046000    
 C   -3.432000      -2.370200      0.7174000    
 C   -4.377300      -1.399000      -1.721100    
 C   -4.021000      -3.241200     -0.1993000    
 C   -4.493600      -2.755500      -1.418400    
 H    1.427600      0.4508000       2.556200    
 H    1.283400       2.867900       2.157300    
 H    2.539500       2.164700       1.169200    
 H   0.5854000     -0.2944000     -0.1466000    
 H    4.613200     -0.7409000      -1.525900    
 H    5.165600      -1.127400      0.1005000    
 H    5.682800      -2.123500      -1.234900    
 H    3.270200      -2.660500      -2.844000    
 H    2.523200      -3.939400      -1.902000    
 H    4.279300      -3.962000      -2.175600    
 H    4.140700      -2.910700       1.406900    
 H    2.786700      -3.848200      0.7810000    
 H    4.450300      -4.219200      0.2977000    
 H    2.305000       2.020500      -1.286500    
 H  -0.7823000       3.771800       1.164500    
 H   -2.858600     -0.4282000       2.424500    
 H   -3.120100      0.9251000       1.305900    
 H    1.284600       3.044400      -3.287900    
 H   -1.791900       4.785800     -0.8452000    
 H  -0.7635000       4.428100      -3.074200    
 H   -3.700800      0.5265000      -1.052900    
 H   -3.065500      -2.760900       1.663000    
 H   -4.744600      -1.021100      -2.670800    
 H   -4.110900      -4.297700      3.5799999E-02
 H   -4.951800      -3.433700      -2.132200    


%chk=000128332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128332

0 1
O 2.710918 -1.868351 -0.209953
O -1.164229 -0.289563 1.502802
O -0.918613 1.396153 3.101212
O 3.660917 -0.294267 1.303556
N 1.364399 -0.422382 0.893062
C 1.039628 0.672571 1.806080
C 4.039972 -2.510328 -0.583829
C 1.370525 2.097553 1.218326
C 0.536284 2.473684 0.006733
C 4.949819 -1.455826 -1.246022
C 3.597862 -3.587679 -1.589242
C 4.678938 -3.136361 0.672389
C -0.427698 0.639293 2.234478
C 2.671643 -0.817927 0.715307
C 0.889861 2.023497 -1.292764
C -0.628917 3.272728 0.153011
C -2.650206 -0.323932 1.739505
C 0.098710 2.358546 -2.415017
C -1.420508 3.612648 -0.967888
C -3.320884 -0.769653 0.462760
C -1.059746 3.155065 -2.257086
C -3.168845 -0.014822 -0.729276
C -4.129035 -1.932421 0.447876
C -3.816395 -0.421588 -1.915103
C -4.786158 -2.334573 -0.737684
C -4.629891 -1.580253 -1.922484
H 1.658834 0.568086 2.718003
H 1.215546 2.823365 2.036310
H 2.448437 2.079682 0.977600
H 0.609895 -0.901045 0.398439
H 4.442323 -0.998024 -2.114103
H 5.220068 -0.666253 -0.527513
H 5.875424 -1.941679 -1.605553
H 3.085864 -3.127911 -2.452117
H 2.903694 -4.301124 -1.112683
H 4.478831 -4.143948 -1.956550
H 4.968062 -2.358344 1.396275
H 3.972135 -3.833871 1.156019
H 5.580961 -3.705649 0.382142
H 1.793512 1.416912 -1.424278
H -0.909235 3.634332 1.149863
H -2.832614 -1.025829 2.571422
H -2.948696 0.691611 2.057684
H 0.389776 2.006683 -3.411346
H -2.310192 4.239247 -0.836984
H -1.666312 3.426123 -3.128770
H -2.537767 0.881536 -0.730958
H -4.244852 -2.526192 1.363093
H -3.688375 0.164827 -2.831799
H -5.411387 -3.234257 -0.737448
H -5.134682 -1.892488 -2.843597


