%chk=000047064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047064

1 1
 O  -0.5480000     -4.3000001E-03 -0.8368000    
 O  -0.9632000      -1.085200       1.166500    
 N    4.018000      0.7324000      0.6141000    
 N   -2.700100      5.6499999E-02  0.1229000    
 C    2.965900     -0.1290000     -8.8799998E-02
 C    5.110700       1.088800     -0.3897000    
 C    4.594200     -5.6100000E-02   1.786900    
 C    3.429800       2.032300       1.158800    
 C    1.701200      0.3552000     -0.1242000    
 C    3.388100      -1.303000     -0.6163000    
 C   0.7425000     -0.4299000     -0.7647000    
 C    2.429300      -2.088100      -1.256600    
 C    1.106600      -1.651600      -1.330800    
 C   -1.382200     -0.4005000      0.2339000    
 C   -3.677400     -0.2718000       1.150900    
 C   -3.186300      0.8713000     -0.9859000    
 C   -4.351900      -1.553600      0.7910000    
 C   -3.002500       2.313600     -0.6485000    
 C   -5.672400      -1.677900      0.6163000    
 C   -4.002400       3.201000     -0.5991000    
 H    5.647400      0.1864000     -0.6947000    
 H    5.812900       1.770800      0.1009000    
 H    4.648600       1.581800      -1.251100    
 H    3.772400     -0.3573000       2.444500    
 H    5.287600      0.5968000       2.326900    
 H    5.141100     -0.9280000       1.417800    
 H    2.672900       1.805300       1.916900    
 H    4.241800       2.588700       1.641000    
 H    3.043500       2.637000      0.3316000    
 H    1.357400       1.291000      0.2938000    
 H    4.408000      -1.664800     -0.5709000    
 H    2.712300      -3.039700      -1.697400    
 H   0.3647000      -2.268000      -1.831300    
 H   -3.163700     -0.4055000       2.109600    
 H   -4.381700      0.5587000       1.271600    
 H   -2.609600      0.6437000      -1.888500    
 H   -4.230900      0.6173000      -1.197600    
 H   -3.731200      -2.439800      0.6832000    
 H   -1.992100       2.662200     -0.4493000    
 H   -6.105100      -2.639700      0.3637000    
 H   -6.340200     -0.8297000      0.7195000    
 H   -3.804100       4.239100     -0.3562000    
 H   -5.028300       2.910700     -0.7969000    


%chk=000047064-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047064

1 1
O -0.566513 -0.078563 -0.822805
O -0.641412 0.562479 1.473428
N 4.140961 0.285711 0.943941
N -2.595564 0.334688 0.190120
C 3.119910 -0.048242 -0.152634
C 5.084752 1.389009 0.445250
C 4.949953 -0.973175 1.288535
C 3.483785 0.783002 2.233082
C 1.748779 0.116509 0.108688
C 3.602985 -0.512530 -1.394535
C 0.827126 -0.200556 -0.923864
C 2.662589 -0.818209 -2.404586
C 1.281553 -0.666348 -2.179915
C -1.250770 0.304735 0.399793
C -3.479518 0.741373 1.325342
C -3.267106 0.029837 -1.107489
C -4.277790 -0.428334 1.868812
C -3.690257 1.292893 -1.836635
C -5.631943 -0.459128 1.925306
C -4.969863 1.573873 -2.184771
H 5.611420 1.042971 -0.454148
H 5.810449 1.620989 1.240285
H 4.484148 2.277256 0.200624
H 4.253421 -1.750028 1.636261
H 5.675477 -0.723750 2.078494
H 5.477076 -1.326650 0.392366
H 2.819806 0.004709 2.634874
H 4.283701 0.999983 2.957275
H 2.911703 1.698638 2.027331
H 1.339330 0.464030 1.056331
H 4.669054 -0.643736 -1.603580
H 3.015900 -1.179037 -3.374801
H 0.550175 -0.901507 -2.957509
H -2.827346 1.163859 2.109109
H -4.154196 1.537488 0.962016
H -2.572715 -0.560982 -1.724490
H -4.148399 -0.597478 -0.883002
H -3.689197 -1.273861 2.252385
H -2.881923 1.992169 -2.095124
H -6.168333 -1.309749 2.359057
H -6.243933 0.374801 1.558400
H -5.227241 2.484802 -2.735713
H -5.796434 0.893161 -1.944506


