%chk=000114199.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114199

0 1
 O    4.903200       1.940800     -0.8006000    
 N   -2.001800     -0.4576000     -0.9171000    
 C    1.023100      -1.164400     -0.6265000    
 C  -9.9200003E-02  -1.330200      0.4003000    
 C  -0.9731000     -9.7800002E-02  5.5399999E-02
 C   0.2746000      -1.179900      -2.046700    
 C    1.983000      -2.372300     -0.5029000    
 C   0.3852000      -1.534100       1.847900    
 C    1.698700      0.2280000     -0.2938000    
 C  -0.5052000       1.107900      0.8581000    
 C   -1.328400      -1.323500      -1.959600    
 C    2.483700      -2.603300      0.9272000    
 C    1.331300      -2.733100       1.921900    
 C    1.000200       1.255300      0.4670000    
 C   -3.163800      -1.091400     -0.3172000    
 C    3.003300      0.4998000     -0.7257000    
 C    1.653800       2.444800      0.8059000    
 C   -3.806000     -0.1535000      0.7065000    
 C    3.628100       1.702000     -0.3826000    
 C    2.964400       2.660100      0.3857000    
 C   -4.274000       1.183100      0.1000000    
 C   -5.259500      0.9184000      -1.041200    
 C   -4.921700       2.101100       1.137700    
 H  -0.6436000      -2.262700      0.1952000    
 H  -0.5674000      0.4444000     -0.8114000    
 H   0.6451000      -2.010300      -2.660000    
 H   0.5112000     -0.2623000      -2.601700    
 H    2.837600      -2.276100      -1.180800    
 H    1.454200      -3.281600     -0.8211000    
 H  -0.4788000      -1.707000       2.500400    
 H   0.9129000     -0.6671000       2.254700    
 H  -0.6292000      0.9780000       1.937000    
 H   -1.050300       2.012300      0.5602000    
 H   -1.753500      -1.075000      -2.938600    
 H   -1.551600      -2.383500      -1.779300    
 H    3.141200      -1.781900       1.233900    
 H    3.090200      -3.516100      0.9550000    
 H   0.7720000      -3.653300       1.712600    
 H    1.728800      -2.827900       2.938700    
 H   -2.894400      -2.024700      0.1929000    
 H   -3.886900      -1.372100      -1.090300    
 H    3.551900     -0.2184000      -1.327600    
 H    1.140200       3.213400       1.376600    
 H   -3.125800      3.7900001E-02   1.545100    
 H   -4.670600     -0.6702000       1.144200    
 H    3.456800       3.592400      0.6506000    
 H   -3.414200       1.724600     -0.3117000    
 H   -4.770000      0.4616000      -1.906300    
 H   -6.079900      0.2674000     -0.7205000    
 H   -5.699800       1.857700      -1.394700    
 H   -5.216900       3.054900      0.6881000    
 H   -5.814000       1.639100       1.573400    
 H   -4.220600       2.316600       1.950800    
 H    5.183600       2.814100     -0.4770000    


%chk=000114199-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114199

0 1
O 5.069860 1.796553 -0.765791
N -2.013338 -0.397075 -0.937026
C 1.070151 -1.166736 -0.650938
C -0.070194 -1.284054 0.381524
C -0.850692 -0.006736 -0.095713
C 0.272865 -1.182024 -2.063717
C 2.059282 -2.355636 -0.534379
C 0.406637 -1.480621 1.835810
C 1.732240 0.230821 -0.287962
C -0.485618 1.163984 0.826616
C -1.317335 -1.314712 -1.970440
C 2.534778 -2.580883 0.923942
C 1.338575 -2.719361 1.901947
C 1.046482 1.253487 0.499358
C -3.163502 -1.068436 -0.287453
C 3.066062 0.477943 -0.677138
C 1.755227 2.418265 0.861041
C -3.906180 -0.130241 0.687474
C 3.742032 1.663409 -0.310320
C 3.097350 2.639914 0.477472
C -4.469815 1.170123 0.055330
C -5.543399 0.873943 -1.018162
C -5.039395 2.094363 1.157186
H -0.670988 -2.185811 0.148448
H -0.279606 0.390572 -0.944637
H 0.616140 -2.055530 -2.654260
H 0.538369 -0.287425 -2.658371
H 2.927206 -2.240666 -1.212680
H 1.520830 -3.264679 -0.876009
H -0.464956 -1.622946 2.505448
H 0.961899 -0.600826 2.209013
H -0.673234 0.998124 1.903987
H -0.976057 2.111824 0.532476
H -1.741877 -1.105230 -2.971574
H -1.555318 -2.376139 -1.732225
H 3.170228 -1.731242 1.242192
H 3.168126 -3.488329 0.970049
H 0.759830 -3.631193 1.642775
H 1.711338 -2.860358 2.935150
H -2.852142 -1.991806 0.269663
H -3.851816 -1.405301 -1.086903
H 3.620800 -0.255219 -1.270241
H 1.237018 3.188005 1.445906
H -3.216790 0.143055 1.512954
H -4.739231 -0.699806 1.151523
H 3.616143 3.560565 0.774490
H -3.624995 1.685620 -0.443663
H -5.126955 0.292043 -1.859855
H -6.386600 0.300005 -0.584785
H -5.953179 1.813802 -1.433596
H -5.416122 3.042768 0.730080
H -5.881693 1.605741 1.686088
H -4.268212 2.343777 1.911172
H 5.457871 2.654716 -0.463173


