%chk=000103683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103683

0 1
 O   0.3225000     -0.2184000      0.9438000    
 O  -0.1927000     -0.1501000      -1.335700    
 O   -3.643000      0.8690000     -0.8876000    
 N    3.872900     -0.5579000      1.9500000E-02
 C  -0.7642000     -7.9499997E-02 -7.3000002E-03
 C    1.453900     -0.6537000      0.1836000    
 C    1.218700     -3.2400001E-02  -1.165900    
 C   -1.721600      -1.260700      0.1660000    
 C   -1.412200       1.305300      0.1579000    
 C    2.741600     -0.2164000      0.8484000    
 C   -2.860300      -1.370900     -0.6537000    
 C   -2.709300       1.659300     -0.2697000    
 C   -3.195000     -0.2679000      -1.611200    
 C    5.130800     -0.1377000      0.6333000    
 C   -1.488900      -2.277300       1.111600    
 C  -0.6389000       2.331100      0.7560000    
 C    6.347200     -0.4273000     -0.2627000    
 C   -3.723200      -2.471600     -0.5275000    
 C   -3.204600       2.957700     -3.8899999E-02
 C   -2.350900      -3.370000       1.230000    
 C   -1.134100       3.620800      0.9627000    
 C   -3.465800      -3.469400      0.4076000    
 C   -2.424400       3.933100      0.5713000    
 C    6.174800      0.2767000      -1.611400    
 C    7.666900      8.1000002E-03  0.3797000    
 H    1.403600      -1.748000      0.1147000    
 H    1.475500       1.032400      -1.192700    
 H    1.738800     -0.5447000      -1.979800    
 H    2.812700     -0.6932000       1.834300    
 H    2.705800      0.8647000       1.034700    
 H    3.894600      -1.562100     -0.1545000    
 H   -2.379500     -1.8800000E-02  -2.298100    
 H   -4.025300     -0.5750000      -2.258600    
 H    5.265700     -0.6565000       1.590800    
 H    5.096700      0.9382000      0.8481000    
 H  -0.6286000      -2.244300       1.774800    
 H   0.3830000       2.143900       1.078100    
 H    6.403400      -1.508600     -0.4447000    
 H   -4.609400      -2.550900      -1.152300    
 H   -4.214600       3.217200     -0.3514000    
 H   -2.147400      -4.142800       1.965500    
 H  -0.5076000       4.374100       1.431000    
 H   -4.138300      -4.316900      0.4998000    
 H   -2.821300       4.930400      0.7322000    
 H    5.305700     -0.1017000      -2.159100    
 H    7.051300      0.1100000      -2.247400    
 H    6.054700       1.358200      -1.484400    
 H    7.815800     -0.5034000       1.336400    
 H    8.516000     -0.2358000     -0.2674000    
 H    7.679600       1.087100      0.5670000    


%chk=000103683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103683

0 1
O 0.320676 -0.522479 0.905689
O -0.244976 -0.434664 -1.389481
O -3.410673 0.990798 -1.288119
N 3.981924 -0.565344 0.071333
C -0.815600 -0.277990 -0.003964
C 1.536935 -0.812093 0.096471
C 1.204689 -0.172525 -1.260199
C -1.884278 -1.353630 0.183807
C -1.344655 1.151630 0.202421
C 2.753460 -0.232139 0.825051
C -2.999290 -1.393768 -0.698327
C -2.527357 1.660348 -0.424171
C -3.111482 -0.373388 -1.806803
C 5.216297 0.077728 0.580607
C -1.789637 -2.285053 1.239629
C -0.631393 2.027853 1.064011
C 6.438043 -0.239716 -0.316289
C -3.992769 -2.381682 -0.514544
C -2.938319 2.998422 -0.184468
C -2.786506 -3.272381 1.412662
C -1.037901 3.354813 1.298986
C -3.889638 -3.326019 0.532322
C -2.204123 3.843512 0.664044
C 6.276212 0.378980 -1.723166
C 7.741665 0.238483 0.364157
H 1.629271 -1.913773 -0.010210
H 1.413007 0.915307 -1.250542
H 1.695980 -0.649891 -2.119123
H 2.755994 -0.600663 1.879382
H 2.656505 0.869461 0.867398
H 4.109053 -1.586192 -0.002723
H -2.187265 -0.323677 -2.407745
H -3.974656 -0.583216 -2.457418
H 5.447776 -0.222107 1.634026
H 5.050161 1.174039 0.589845
H -0.932699 -2.225541 1.915835
H 0.246997 1.623389 1.573511
H 6.495127 -1.345552 -0.426633
H -4.852902 -2.408557 -1.194186
H -3.847282 3.342341 -0.687779
H -2.702681 -3.993661 2.233224
H -0.460751 3.994648 1.974632
H -4.664684 -4.089361 0.662504
H -2.541666 4.872346 0.831398
H 5.302424 0.096844 -2.159693
H 7.082213 0.045170 -2.402540
H 6.318135 1.484094 -1.665148
H 7.894931 -0.252410 1.343768
H 8.620462 0.018039 -0.268996
H 7.716347 1.332625 0.532353


