%chk=000104375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104375

0 1
 O  -0.7007000      0.4916000     -0.1814000    
 O    6.114900      -1.152000      2.3000000E-02
 O   -4.875300      0.8834000      -2.444100    
 O   -6.810300       2.095200      6.6399999E-02
 N    6.498800       1.081500      4.2500000E-02
 C    1.447100      0.3370000      0.8282000    
 C    4.202400      0.1874000      0.3801000    
 C  -2.3000000E-02  0.4175000       1.066900    
 C    5.618600      0.1105000      0.1493000    
 C    2.063800     -0.9058000      0.6837000    
 C    2.205300       1.505100      0.7492000    
 C    3.438600     -0.9803000      0.4601000    
 C    3.580000       1.430500      0.5256000    
 C    7.449800     -0.9526000     -0.1844000    
 C    7.680800      0.4150000     -0.1720000    
 C   -2.065000      0.6095000     -0.1368000    
 C   -4.833700      0.8498000     -4.6000000E-02
 C   -4.177300      0.8077000      -1.276000    
 C   -2.788400      0.6873000      -1.321500    
 C   -2.712300      0.6507000       1.093000    
 C   -4.101200      0.7712000       1.138400    
 C   -6.283100      0.9748000      2.3600001E-02
 C    8.428900      -1.919200     -0.3773000    
 C    8.988300      0.8832000     -0.3659000    
 C   -7.187100     -0.2132000      4.6000000E-02
 C    9.727700      -1.435700     -0.5691000    
 C    10.00430     -6.2899999E-02 -0.5639000    
 C   -6.627400      -1.469300      8.9999998E-04
 C   -8.545600     -4.8000002E-03  0.1123000    
 C   -7.472900      -2.578500      2.3600001E-02
 C   -9.391000      -1.114000      0.1349000    
 C   -8.854800      -2.400800      9.0599999E-02
 H  -0.3370000     -0.4731000       1.627600    
 H  -0.2210000       1.310700       1.674600    
 H    1.483600      -1.823000      0.7408000    
 H    1.736600       2.479700      0.8575000    
 H    3.880900      -1.967600      0.3523000    
 H    4.150000       2.354800      0.4671000    
 H   -2.274500      0.6544000      -2.278700    
 H   -2.211300      0.5913000       2.052400    
 H   -4.602600      0.8023000       2.102700    
 H    8.204300      -2.978400     -0.3797000    
 H    9.214100       1.944500     -0.3639000    
 H    10.53990      -2.141500     -0.7257000    
 H    11.02580      0.2766000     -0.7164000    
 H   -5.558900      -1.647300     -5.1700000E-02
 H   -8.986400      0.9865000      0.1479000    
 H   -7.055700      -3.580700     -1.1000000E-02
 H   -10.46710     -0.9760000      0.1871000    
 H   -9.513100      -3.264400      0.1083000    
 H   -5.824000      0.9891000      -2.267900    


%chk=000104375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104375

0 1
O -0.655998 0.228569 -0.335364
O 6.421422 -1.117473 -0.224081
O -4.449901 1.362627 -2.968857
O -6.769084 1.067980 -2.049583
N 6.525475 1.098190 0.467495
C 1.464355 -0.185269 0.755177
C 4.281299 -0.040427 0.407750
C -0.033143 -0.257267 0.928734
C 5.727726 0.058244 0.243996
C 2.192513 -1.312947 0.300918
C 2.163585 1.017832 1.033152
C 3.588084 -1.248172 0.125899
C 3.556753 1.096061 0.862245
C 7.771721 -0.708843 -0.277309
C 7.831941 0.650830 0.147487
C -2.050736 0.258489 -0.406762
C -4.878541 0.364942 -0.758962
C -3.973707 0.831930 -1.796524
C -2.577826 0.749631 -1.617895
C -2.916078 -0.148970 0.656432
C -4.301380 -0.089311 0.463901
C -6.323026 0.431381 -1.004301
C 8.890359 -1.453912 -0.666174
C 9.073651 1.319590 0.192236
C -7.335149 -0.217518 -0.111692
C 10.129491 -0.770338 -0.616132
C 10.218103 0.588162 -0.195582
C -7.133660 -1.496878 0.474155
C -8.581554 0.439508 0.072208
C -8.153120 -2.093220 1.248016
C -9.590350 -0.149418 0.860689
C -9.378044 -1.417339 1.453919
H -0.366467 -1.297011 1.115127
H -0.372302 0.388384 1.762731
H 1.660846 -2.244877 0.076408
H 1.608589 1.897776 1.378131
H 4.146967 -2.120384 -0.225293
H 4.104010 2.019691 1.074123
H -1.909591 1.087690 -2.412940
H -2.519039 -0.492389 1.614617
H -4.962485 -0.369571 1.289095
H 8.815066 -2.495503 -0.988647
H 9.136368 2.362330 0.515305
H 11.041946 -1.300407 -0.908993
H 11.199234 1.074041 -0.174103
H -6.204543 -2.044957 0.286725
H -8.741121 1.406068 -0.416342
H -7.995593 -3.087478 1.680220
H -10.542351 0.372175 1.007176
H -10.165285 -1.879630 2.059779
H -5.485627 1.405085 -2.875110


