%chk=000104276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104276

0 1
 O    3.805200      -4.044800      -1.078000    
 O    3.694800       4.206700     -0.9032000    
 O    2.630200      -4.027700      0.8709000    
 O    4.639100       2.900500      0.7035000    
 N    1.532000      2.8800000E-02  7.0699997E-02
 C  -0.9149000     -2.0000000E-02 -6.3100003E-02
 C   -2.217200      0.4815000      0.5667000    
 C   0.3033000      0.5104000      0.6909000    
 C   -3.437000     -2.1000000E-02 -0.2089000    
 C   -4.770500      0.4335000      0.3935000    
 C    1.816100      -1.345100      0.4887000    
 C    2.656300      0.9043000      0.4062000    
 C   -5.988400     -4.8700001E-02 -0.3990000    
 C   -7.320400      0.3550000      0.2386000    
 C    2.719800      -2.033300     -0.5299000    
 C    2.605200       2.178200     -0.4319000    
 C   -8.534900     -9.7900003E-02 -0.5570000    
 C    3.021100      -3.458600     -0.1371000    
 C    3.760100       3.098200     -0.1217000    
 H  -0.9356000      -1.114900     -7.5499997E-02
 H  -0.8690000      0.3090000      -1.109400    
 H   -2.223700       1.578000      0.5839000    
 H   -2.278400      0.1403000       1.607100    
 H   0.2558000      0.2275000       1.751300    
 H   0.2346000       1.603100      0.6719000    
 H   -3.374900      0.3306000      -1.246300    
 H   -3.417600      -1.117400     -0.2446000    
 H   -4.787700       1.529000      0.4477000    
 H   -4.840900      6.4000003E-02   1.424000    
 H    2.263600      -1.373000       1.491800    
 H   0.9006000      -1.943700      0.5608000    
 H    2.668600       1.142800       1.478600    
 H    3.618800      0.4225000      0.1992000    
 H   -5.937300      0.3550000      -1.417700    
 H   -5.951500      -1.141400     -0.4889000    
 H   -7.355500       1.445700      0.3458000    
 H   -7.381600     -6.5800004E-02   1.249300    
 H    3.681000      -1.519700     -0.6297000    
 H    2.226500      -2.051100      -1.509100    
 H    1.690100       2.750100     -0.2524000    
 H    2.656300       1.921700      -1.496900    
 H   -8.553400      -1.188000     -0.6537000    
 H   -8.526900      0.3360000      -1.561800    
 H   -9.456200      0.2162000     -5.6800000E-02
 H    4.017500      -4.974800     -0.8493000    
 H    4.435200       4.824700     -0.7238000    


%chk=000104276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104276

0 1
O 4.054523 -4.006969 -1.075415
O 3.662060 4.339285 -0.907359
O 2.422135 -4.227381 0.559840
O 4.937500 2.827315 0.306963
N 1.593765 0.036204 0.217602
C -0.927365 -0.037864 -0.000619
C -2.269576 0.421992 0.612256
C 0.291813 0.478591 0.791398
C -3.499169 -0.062399 -0.188669
C -4.843126 0.408205 0.411641
C 1.926355 -1.367503 0.569201
C 2.705183 0.979042 0.500733
C -6.073608 -0.065273 -0.394448
C -7.417174 0.413865 0.201256
C 2.807627 -2.025418 -0.511005
C 2.660084 2.198963 -0.441185
C -8.640915 -0.058961 -0.613048
C 3.037142 -3.499454 -0.251184
C 3.865948 3.099950 -0.278836
H -0.908733 -1.145446 -0.046454
H -0.842441 0.320312 -1.045154
H -2.287560 1.530927 0.670896
H -2.346160 0.054693 1.657268
H 0.197439 0.174875 1.864647
H 0.269394 1.584978 0.780353
H -3.418942 0.298659 -1.235350
H -3.489008 -1.171153 -0.241387
H -4.849182 1.517023 0.470196
H -4.926843 0.042070 1.456513
H 2.428102 -1.444905 1.563712
H 0.990069 -1.944777 0.651156
H 2.705141 1.322864 1.563270
H 3.667745 0.460828 0.347910
H -5.988596 0.296802 -1.440687
H -6.073405 -1.174172 -0.449345
H -7.415069 1.521689 0.258663
H -7.503240 0.049371 1.245434
H 3.790039 -1.529637 -0.611147
H 2.311511 -1.918963 -1.495373
H 1.746213 2.802906 -0.299995
H 2.629365 1.843446 -1.489693
H -8.683491 -1.163709 -0.658465
H -8.593869 0.316702 -1.652810
H -9.587940 0.297422 -0.167398
H 4.160311 -4.981888 -0.900377
H 4.484248 4.893292 -0.810107


