%chk=000127868.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127868

0 1
 O   -1.128600     -0.5730000      -1.626500    
 O   -3.583100      -2.085300     -0.1183000    
 O   -3.010500     -0.9505000       1.759000    
 O    4.822200     -0.7527000      0.4808000    
 O    3.349600      -2.219000     -0.2398000    
 N   -4.522900       1.097100      0.2354000    
 N    3.664600      -1.055100      0.1050000    
 C   -2.132900       1.109700     -0.2596000    
 C   -3.424300      0.2914000     -0.3030000    
 C  -0.9503000      0.3335000     -0.8140000    
 C   0.4370000      0.6600000     -0.3706000    
 C    1.375500     -0.3461000     -0.3456000    
 C   0.7233000       1.954900     -3.0000000E-03
 C   -3.303900     -0.9476000      0.5703000    
 C    2.671600     -4.0500000E-02  6.9499999E-02
 C    2.019300       2.260500      0.4121000    
 C    2.993500       1.262700      0.4483000    
 H   -1.908800       1.397000      0.7754000    
 H   -2.243700       2.021900     -0.8581000    
 H   -3.662800     -3.0000001E-04  -1.331700    
 H    1.100800      -1.355400     -0.6393000    
 H  -1.4800000E-02   2.749600     -3.5900000E-02
 H   -4.326000       1.360800       1.200100    
 H   -5.380300      0.5463000      0.2522000    
 H    2.270500       3.276000      0.7041000    
 H    3.992600       1.538300      0.7762000    
 H   -3.512600      -2.882300      0.4493000    


%chk=000127868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127868

0 1
O -1.050725 -1.201367 -0.764860
O -4.526288 -1.905066 0.075266
O -3.271831 -1.016870 1.820845
O 5.247350 -0.326184 -0.189518
O 3.809051 -1.979892 -0.820522
N -4.510969 1.202282 -0.267705
N 4.060177 -0.789900 -0.395381
C -2.074254 0.881946 -0.039725
C -3.420464 0.207080 -0.345304
C -0.882167 -0.027637 -0.325139
C 0.507799 0.501078 -0.081625
C 1.603233 -0.360599 -0.341317
C 0.753594 1.817421 0.392889
C -3.671480 -0.951171 0.635720
C 2.907007 0.114102 -0.122497
C 2.074356 2.271277 0.604484
C 3.168721 1.421014 0.347746
H -2.044084 1.190732 1.025109
H -2.008711 1.802568 -0.650510
H -3.403943 -0.215068 -1.362750
H 1.423655 -1.376566 -0.705215
H -0.082699 2.492478 0.599265
H -4.638795 1.611433 0.664647
H -5.394234 0.880405 -0.675601
H 2.252013 3.287370 0.969990
H 4.202645 1.740902 0.501352
H -4.713958 -2.619867 0.742656


