%chk=000043574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043574

0 1
 O    3.409000       2.368100     -0.2488000    
 O    5.188200      0.9316000      -1.009300    
 O   -2.476200       2.499900      0.9316000    
 O   -4.457600       1.593400     -0.7895000    
 N   -1.244500      -3.556600     -0.6929000    
 C   0.8216000      -1.413900       1.589700    
 C  -0.2896000      -1.802900      0.6721000    
 C   -1.326100     -0.9307000      0.3196000    
 C    2.019200     -0.8130000      0.8826000    
 C   -2.334700      -1.387000     -0.5541000    
 C    2.064900      0.5583000      0.6880000    
 C   -1.390600      0.3835000      0.8108000    
 C    3.175100       1.058700      3.9400000E-02
 C    3.039300      -1.660100      0.4493000    
 C  -0.2970000      -3.085400      0.1454000    
 C    4.191100      0.2384000     -0.3950000    
 C   -3.383900     -0.5274000     -0.9194000    
 C   -2.437900       1.229200      0.4409000    
 C    4.152800      -1.127500     -0.2048000    
 C   -3.432400      0.7748000     -0.4221000    
 C   -2.237100      -2.699100      -1.021400    
 C    4.686400       2.280100     -0.9126000    
 C   -1.815900       3.508500      0.1699000    
 C   -5.624200       1.578900      3.0800000E-02
 H    1.155700      -2.302300       2.146600    
 H   0.4818000     -0.7509000       2.394600    
 H    1.301400       1.236700       1.039200    
 H  -0.6762000      0.7756000       1.523700    
 H    2.984000      -2.732800      0.6128000    
 H   0.4817000      -3.802900      0.3864000    
 H   -4.164800     -0.8729000      -1.593900    
 H    4.955200      -1.770300     -0.5487000    
 H   -2.980500      -3.113300      -1.697000    
 H    5.412400       2.885900     -0.3582000    
 H    4.585200       2.690300      -1.924000    
 H   -1.939500       4.464200      0.6865000    
 H   -2.258600       3.590200     -0.8278000    
 H  -0.7462000       3.289600      8.9800000E-02
 H   -6.075400      0.5816000      3.7999999E-02
 H   -6.345600       2.286300     -0.3873000    
 H   -5.381400       1.889200       1.052000    


%chk=000043574-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043574

0 1
O 4.337551 2.159885 1.178860
O 4.844251 1.613355 -1.108475
O -2.171952 2.448425 0.369976
O -4.480068 1.293388 -0.978220
N -1.483855 -4.003848 -0.082016
C 0.962901 -1.599012 1.646008
C -0.254128 -2.082776 0.872426
C -1.281784 -1.178729 0.412388
C 1.958175 -0.748307 0.846312
C -2.411455 -1.742517 -0.296705
C 2.620370 0.338292 1.491612
C -1.237328 0.238469 0.606658
C 3.560965 1.053932 0.748726
C 2.263218 -1.060955 -0.501895
C -0.414044 -3.448387 0.600605
C 3.858048 0.733293 -0.591485
C -3.470099 -0.889120 -0.740216
C -2.265713 1.058767 0.142166
C 3.222352 -0.322433 -1.247873
C -3.421047 0.484445 -0.511585
C -2.442298 -3.161787 -0.509747
C 5.155675 2.555633 -0.000239
C -2.097515 3.277447 -0.859343
C -5.229992 2.010181 0.083116
H 1.493552 -2.489385 2.038731
H 0.636022 -1.024210 2.534891
H 2.404463 0.600687 2.531849
H -0.380115 0.714484 1.090187
H 1.741549 -1.892573 -0.987027
H 0.341635 -4.168098 0.937699
H -4.343387 -1.308849 -1.251068
H 3.453284 -0.568195 -2.287447
H -3.287424 -3.612132 -1.046319
H 6.224489 2.466047 0.258878
H 4.871678 3.577697 -0.306634
H -2.095175 4.319846 -0.507204
H -2.965574 3.089195 -1.515677
H -1.157829 3.059318 -1.400219
H -5.750134 1.281479 0.732812
H -5.966288 2.630682 -0.449338
H -4.553874 2.640364 0.687729


