%chk=000042379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042379

0 1
 O    3.309400      -1.385200     -0.1792000    
 O    6.001000     -0.8389000     -0.6213000    
 O   -2.623000      -2.741200       1.553600    
 N    3.783400       2.108600     -0.2975000    
 N   -3.041800      -1.780400     -0.5159000    
 C   -4.868500      0.6062000     -0.6326000    
 C   -5.146600     -0.6822000      0.1491000    
 C   -5.606800       1.796700     -1.5300000E-02
 C    4.818900       1.141400      4.0199999E-02
 C    4.997800      8.5000001E-02  -1.052800    
 C    3.594700       3.067700      0.7825000    
 C   -4.473400      -1.900900     -0.4744000    
 C   -5.388000       3.106600     -0.7754000    
 C    3.719300     -0.6927000      -1.357400    
 C    2.952500       4.335700      0.2290000    
 C    2.738300       2.457300       1.888400    
 C   -6.175300       4.277600     -0.2080000    
 C   -2.221500      -2.217300      0.5178000    
 C  -0.7638000      -1.996900      0.3340000    
 C    1.973600      -1.584300     -1.0900000E-02
 C   6.6399999E-02  -1.859000       1.446400    
 C  -0.2252000      -1.928600     -0.9509000    
 C    1.435000      -1.652800       1.274000    
 C    1.143500      -1.722300      -1.123400    
 H   -5.186000      0.4795000      -1.674600    
 H   -3.793300      0.8189000     -0.6440000    
 H   -4.802700     -0.5598000       1.183700    
 H   -6.227900     -0.8602000      0.1881000    
 H   -5.282700       1.926700       1.024700    
 H   -6.681500       1.577400      1.3500000E-02
 H    5.781600       1.648100      0.1898000    
 H    4.601400      0.6322000      0.9861000    
 H    5.362900      0.5573000      -1.971800    
 H    4.562700       3.366000       1.206200    
 H   -4.818300      -2.041700      -1.504400    
 H   -4.741900      -2.798500      9.3400002E-02
 H   -5.672600       2.968700      -1.825400    
 H   -4.320600       3.357100     -0.7663000    
 H    4.055400       2.591600      -1.153600    
 H    2.957000      4.0000002E-03  -1.726400    
 H    3.926200      -1.442800      -2.129800    
 H    1.972800       4.128700     -0.2166000    
 H    3.583600       4.796600     -0.5391000    
 H    2.808400       5.075500       1.024100    
 H    1.773700       2.109200       1.501100    
 H    3.231400       1.611200       2.376500    
 H    2.532200       3.200400       2.666900    
 H   -2.649200      -1.298100      -1.317100    
 H   -7.250900       4.077200     -0.2407000    
 H   -5.893100       4.469400      0.8321000    
 H   -5.979300       5.184700     -0.7880000    
 H    5.661800      -1.298900      0.1657000    
 H  -0.3348000      -1.904400       2.455500    
 H  -0.8299000      -2.068600      -1.841900    
 H    2.076900      -1.543900       2.143900    
 H    1.528000      -1.713100      -2.139000    


%chk=000042379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042379

0 1
O 3.146046 -0.954482 0.217555
O 5.861181 -1.498607 0.037301
O -2.892638 -2.950566 1.223410
N 5.133813 2.190301 -0.332583
N -3.291102 -1.729531 -0.713476
C -5.559950 0.425518 -0.593504
C -5.588668 -0.984281 0.037262
C -6.454692 1.440051 0.154121
C 5.451693 0.933127 0.381472
C 5.307564 -0.280526 -0.569539
C 4.753324 3.358122 0.514953
C -4.733970 -2.030562 -0.718170
C -6.429942 2.854493 -0.469157
C 3.853330 -0.500208 -1.003125
C 4.911230 4.645377 -0.319377
C 3.303119 3.206712 1.024591
C -7.328676 3.859574 0.283348
C -2.450109 -2.224740 0.273946
C -0.993074 -1.860201 0.171256
C 1.778431 -1.238687 0.132199
C -0.195718 -2.017976 1.337429
C -0.369244 -1.403322 -1.016671
C 1.172016 -1.707364 1.325968
C 1.007150 -1.091366 -1.047581
H -5.886613 0.363432 -1.653911
H -4.517514 0.807333 -0.603968
H -5.241265 -0.938936 1.087178
H -6.634642 -1.353327 0.063382
H -6.131451 1.501074 1.214067
H -7.499761 1.065571 0.169837
H 6.478947 0.906939 0.810456
H 4.742425 0.810485 1.219377
H 5.921279 -0.112728 -1.474202
H 5.427775 3.437759 1.403944
H -5.070638 -2.108200 -1.770519
H -4.853643 -3.017301 -0.238699
H -6.750543 2.791282 -1.529351
H -5.385470 3.228236 -0.481889
H 5.891065 2.445582 -0.982506
H 3.425468 0.454326 -1.363312
H 3.785444 -1.289567 -1.776099
H 4.282393 4.590365 -1.227485
H 5.962335 4.797604 -0.632643
H 4.601528 5.529857 0.264540
H 2.602346 3.200397 0.170088
H 3.161326 2.266283 1.586846
H 3.039023 4.044077 1.696800
H -2.933661 -1.046588 -1.381051
H -8.383821 3.526536 0.281038
H -7.012222 3.960074 1.338744
H -7.290289 4.863519 -0.178143
H 5.194081 -1.823726 0.697292
H -0.681467 -2.397790 2.241892
H -0.935954 -1.320350 -1.952106
H 1.789631 -1.822340 2.221950
H 1.463973 -0.750237 -1.980577


