%chk=000104093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104093

0 1
 O    3.716800      -1.965200     -0.5458000    
 O  -0.8120000      -2.444000       1.457200    
 O   -2.223100       1.748900      -1.498800    
 O   -6.691000       1.613800      0.2836000    
 N    1.206700     -0.9991000      0.2796000    
 N   -4.241700      0.3048000     -0.3200000    
 N    5.748500       2.296500      0.3602000    
 C  -9.4499998E-02 -0.6319000      9.6100003E-02
 C   -2.940500     -6.2199999E-02 -0.1365000    
 C    2.345500     -0.1850000      0.2952000    
 C   -1.118800      -1.472700      0.7715000    
 C  -0.4946000      0.4129000     -0.6377000    
 C   -1.916400      0.7781000     -0.8127000    
 C   -2.540400      -1.107200      0.5971000    
 C    3.590500     -0.6773000     -0.1180000    
 C   -5.351700     -0.3801000      0.2901000    
 C    2.247100       1.142900      0.7301000    
 C    4.717400      0.1445000     -9.6600004E-02
 C    4.609100       1.465400      0.3383000    
 C    3.374000       1.964700      0.7516000    
 C   -6.659500      0.2585000     -0.1458000    
 C    3.528600      -2.206200      -1.938600    
 H    1.369300      -1.982800      0.4681000    
 H   0.2110000       1.041000      -1.172900    
 H   -3.245500      -1.752300       1.111800    
 H   -4.415100       1.077600     -0.9543000    
 H   -5.268400     -0.3141000       1.381600    
 H   -5.362100      -1.436800     -1.9999999E-04
 H    1.310300       1.558900       1.091300    
 H    5.678400     -0.2497000     -0.4191000    
 H    3.278600       2.990200       1.099400    
 H   -7.508800     -0.2614000      0.3074000    
 H   -6.780500      0.2355000      -1.233800    
 H    5.670300       3.254500      0.6748000    
 H    6.644200       1.935500      6.0100000E-02
 H    4.282600      -1.671300      -2.524700    
 H    2.524800      -1.903400      -2.253000    
 H    3.642000      -3.278700      -2.118900    
 H   -5.967700       2.086000     -0.1611000    


%chk=000104093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104093

0 1
O 3.437468 -1.986834 0.097591
O -0.549731 -2.543856 0.599774
O -2.671701 2.234508 -1.077652
O -6.654215 0.726962 1.415604
N 1.121530 -0.564880 0.226746
N -4.348827 0.289334 -0.498586
N 6.124654 2.099609 0.213745
C -0.184164 -0.230083 -0.002028
C -3.032672 -0.027168 -0.319449
C 2.316173 0.179946 0.183107
C -1.100935 -1.432964 0.254841
C -0.704397 0.988055 -0.448469
C -2.116135 1.154345 -0.641921
C -2.517809 -1.256353 0.085104
C 3.531706 -0.571713 0.108496
C -5.493465 -0.612845 -0.341605
C 2.421515 1.592826 0.284445
C 4.787626 0.048328 0.120704
C 4.882787 1.467956 0.203700
C 3.676645 2.224500 0.288387
C -6.749045 0.181776 0.060202
C 3.403214 -2.591441 -1.253539
H 1.226747 -1.570789 0.476036
H -0.079175 1.842398 -0.710800
H -3.149271 -2.128400 0.276085
H -4.475555 1.235323 -0.900475
H -5.268221 -1.348617 0.451312
H -5.687383 -1.173909 -1.281129
H 1.526727 2.205714 0.407594
H 5.685422 -0.578519 0.083724
H 3.727191 3.316071 0.374365
H -7.622396 -0.489698 0.080379
H -6.944221 0.985761 -0.684238
H 6.193173 3.110579 0.285642
H 6.985566 1.562347 0.170787
H 4.340638 -2.373590 -1.799807
H 2.538957 -2.214913 -1.833651
H 3.301977 -3.674335 -1.089462
H -5.816999 1.253368 1.491042


