%chk=000048169.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048169

0 1
 O    1.053500      -1.059800       2.185700    
 O    2.411800      -1.474200      -2.290200    
 O   -3.515900     -0.1063000      0.8123000    
 O    2.182600      -5.152300      0.4438000    
 N    1.522900      -3.117200       1.285800    
 N    2.202000      -3.324000     -0.9499000    
 C    1.155000      -1.224600     -0.2315000    
 C  -0.3148000      -1.372700     -0.6640000    
 C    1.542500      0.2611000     -0.2515000    
 C   -1.243400     -0.6748000      0.3171000    
 C    1.257200      -1.759100       1.193500    
 C    1.998900      -1.985200      -1.249500    
 C    3.023500      0.4365000      5.4499999E-02
 C   -2.694800     -0.7853000     -0.1277000    
 C    3.412000       1.892700      3.2299999E-02
 C    1.967400      -3.951900      0.2675000    
 C    3.840900       2.465600      -1.155900    
 C    3.334400       2.637000       1.200200    
 C    4.200300       3.813200      -1.176700    
 C    3.693800       3.984600       1.179300    
 C   -4.681100      0.4372000      0.3369000    
 C    4.126700       4.572700     -9.2000002E-03
 C   -5.327600     -0.1568000     -0.7408000    
 C   -5.203200       1.576800      0.9375000    
 C   -6.512700      0.3967000      -1.224900    
 C   -6.388600       2.130200      0.4533000    
 C   -7.043300       1.540200     -0.6279000    
 H  -0.5915000      -2.433700     -0.7283000    
 H  -0.4550000     -0.9604000      -1.672100    
 H   0.9789000      0.8446000      0.4851000    
 H    1.314400      0.7014000      -1.231800    
 H   -1.189800      -1.109400       1.320100    
 H   -1.017200      0.3900000      0.4242000    
 H    3.665500     -9.6400000E-02 -0.6552000    
 H    3.276000      2.1100000E-02   1.038000    
 H   -2.996000      -1.838500     -0.1726000    
 H   -2.773400     -0.3404000      -1.128300    
 H    1.462000      -3.529700       2.212400    
 H    2.641800      -3.889100      -1.671100    
 H    3.899300       1.883100      -2.071000    
 H    2.996400       2.188700       2.130300    
 H    4.536700       4.271300      -2.102200    
 H    3.635900       4.576300       2.088200    
 H    4.406200       5.622000     -2.5500000E-02
 H   -4.963800      -1.063000      -1.215300    
 H   -4.696300       2.039500       1.779400    
 H   -7.026600     -6.6000000E-02  -2.062600    
 H   -6.801900       3.020500      0.9184000    
 H   -7.967100       1.970300      -1.003800    


%chk=000048169-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048169

0 1
O 0.931057 -1.011963 2.206814
O 2.235866 -1.604745 -2.414478
O -3.525519 0.608326 0.314429
O 2.155261 -5.176236 0.558208
N 1.450509 -3.081479 1.324446
N 2.141656 -3.361549 -0.916881
C 1.177954 -1.137131 -0.242283
C -0.331601 -1.129767 -0.740494
C 1.768103 0.301311 -0.256954
C -1.271993 -0.174624 0.025480
C 1.193113 -1.701332 1.187771
C 1.911664 -2.018583 -1.272061
C 3.275628 0.368692 0.109237
C -2.721752 -0.369703 -0.432705
C 3.775971 1.806610 0.109755
C 1.924061 -3.962901 0.336434
C 4.324992 2.384008 -1.063942
C 3.660120 2.611339 1.272641
C 4.749691 3.731974 -1.076082
C 4.083680 3.959307 1.264844
C -4.911314 0.641405 0.075338
C 4.629845 4.524800 0.088972
C -5.586363 -0.197990 -0.845756
C -5.631588 1.598222 0.833342
C -6.987037 -0.067951 -1.000370
C -7.025299 1.714282 0.667469
C -7.713521 0.882363 -0.250762
H -0.727789 -2.165387 -0.688176
H -0.299758 -0.849170 -1.811191
H 1.200641 0.914607 0.463085
H 1.617415 0.724489 -1.266580
H -1.212399 -0.342760 1.115052
H -0.991107 0.877598 -0.156222
H 3.856062 -0.229223 -0.618673
H 3.425196 -0.076872 1.112022
H -3.077850 -1.398249 -0.209491
H -2.826123 -0.188733 -1.523916
H 1.360367 -3.478635 2.265795
H 2.545039 -3.970968 -1.636398
H 4.422848 1.772014 -1.969517
H 3.239557 2.176338 2.188228
H 5.175889 4.162058 -1.989688
H 3.991473 4.565921 2.172990
H 4.961317 5.569267 0.081814
H -5.045335 -0.942008 -1.438012
H -5.082780 2.231291 1.537421
H -7.507498 -0.717270 -1.713630
H -7.576737 2.455889 1.256187
H -8.797113 0.975617 -0.377212


