%chk=000151380.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151380

0 1
 O    4.515500     -0.2378000      0.9501000    
 O   -1.015400      0.2348000      -1.430800    
 O   -2.395300      -4.085700      -1.019000    
 O    2.425900       1.525700       1.450900    
 O   -5.158500     -0.7912000      0.5230000    
 N   -3.064500     -0.1188000     -0.3290000    
 N   -3.798200      -2.376200     -0.3757000    
 C   -1.427700      -1.940000     -0.5697000    
 C  -0.8230000      -2.063300      0.8260000    
 C   0.5987000      -1.573300      0.8596000    
 C   -1.801300     -0.4981000     -0.8264000    
 C   -2.567400      -2.908200     -0.7108000    
 C   0.8565000     -0.2384000       1.141900    
 C   -4.087700      -1.053800     -3.1199999E-02
 C    1.635200      -2.462300      0.6080000    
 C   -3.344000       1.295000     -0.1932000    
 C    2.175100      0.2158000       1.173500    
 C    3.223700     -0.6690000      0.9222000    
 C    2.953700      -2.008000      0.6393000    
 C    6.323800      0.7186000     -0.3026000    
 C    5.272800     -0.3813000     -0.2498000    
 C   -2.303900       2.178400      6.8599999E-02
 C   -4.649200       1.752900     -0.3257000    
 C    7.164000      0.6347000      -1.573700    
 C   -2.573300       3.540800      0.1999000    
 C   -4.918600       3.115300     -0.1947000    
 C    8.183500       1.760300      -1.643100    
 C   -3.880600       4.009300      6.8099998E-02
 C    2.480200       2.423700      0.3442000    
 H  -0.6993000      -2.223100      -1.342500    
 H  -0.8428000      -3.107800       1.166300    
 H   -1.416100      -1.514300       1.570100    
 H   -4.570600      -3.034200     -0.3177000    
 H   4.7100000E-02  0.4486000       1.364700    
 H    1.435800      -3.507000      0.3862000    
 H    3.760300      -2.710700      0.4490000    
 H    6.967000      0.6512000      0.5837000    
 H    5.829000       1.695700     -0.2392000    
 H    4.621400     -0.3105000      -1.130500    
 H    5.754800      -1.365500     -0.2476000    
 H    7.685900     -0.3285000      -1.612100    
 H    6.513800      0.6868000      -2.454800    
 H   -1.279800       1.863700      0.2250000    
 H   -5.483000       1.119200     -0.6059000    
 H   -1.766800       4.236100      0.4140000    
 H   -5.933600       3.483200     -0.3141000    
 H    7.690000       2.737400      -1.641600    
 H    8.870100       1.720400     -0.7915000    
 H    8.775000       1.679900      -2.560500    
 H   -4.089900       5.070300      0.1685000    
 H    3.237900       2.106800     -0.3789000    
 H    2.748000       3.415000      0.7199000    
 H    1.501500       2.486300     -0.1423000    


%chk=000151380-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151380

0 1
O 4.209079 0.562128 0.052097
O -1.437718 -0.019047 -1.515625
O -2.868453 -4.379079 -0.374259
O 2.109881 1.636596 1.655171
O -5.286946 -0.697373 1.090510
N -3.283429 -0.262299 -0.085348
N -4.033739 -2.501121 0.342624
C -1.738716 -2.203661 -0.482384
C -0.765051 -2.281700 0.773500
C 0.548610 -1.552792 0.566381
C -2.124985 -0.759562 -0.774926
C -2.908537 -3.132805 -0.208677
C 0.776279 -0.288373 1.158976
C -4.259458 -1.113575 0.502396
C 1.571014 -2.110709 -0.236205
C -3.541345 1.175715 -0.093008
C 1.978765 0.419888 0.963051
C 3.012125 -0.162576 0.165311
C 2.788052 -1.426040 -0.434712
C 6.507220 0.908767 -0.624692
C 5.322294 -0.056446 -0.696432
C -2.578174 2.047043 0.460792
C -4.731996 1.680755 -0.658423
C 7.750588 0.353304 -1.358919
C -2.812019 3.438467 0.448960
C -4.962287 3.073380 -0.659651
C 8.951623 1.320819 -1.292999
C -4.004545 3.954979 -0.107881
C 2.537395 2.823051 0.882534
H -1.185335 -2.583914 -1.355826
H -0.590718 -3.360838 0.941964
H -1.296577 -1.887179 1.659327
H -4.800838 -3.098343 0.668909
H 0.022467 0.178148 1.803689
H 1.424537 -3.090352 -0.707108
H 3.565545 -1.890009 -1.048165
H 6.751078 1.100332 0.437791
H 6.212170 1.878925 -1.069286
H 5.013174 -0.228415 -1.748646
H 5.576065 -1.033420 -0.234745
H 8.036810 -0.621836 -0.914918
H 7.495976 0.152636 -2.419674
H -1.652230 1.645700 0.883576
H -5.474243 0.995929 -1.078880
H -2.065194 4.115402 0.877252
H -5.888275 3.467428 -1.091590
H 8.702380 2.294134 -1.755513
H 9.248812 1.513064 -0.245200
H 9.829135 0.909015 -1.823586
H -4.186171 5.035230 -0.111812
H 3.559304 2.693352 0.492195
H 2.498195 3.655224 1.602074
H 1.834105 3.010950 0.048109


