%chk=000152678.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152678

0 1
 O   0.6203000     -7.9000004E-02   1.314200    
 O    3.274500     -0.1283000      -1.658700    
 O  -0.3732000      -2.531400      -1.666500    
 O   -7.497400      0.8814000       1.592200    
 O    6.722100       1.245800       1.273300    
 O    7.872200     -0.5793000      0.5946000    
 N   -1.446900      -1.324600      1.0700000E-02
 N    1.057400       1.127100     -0.6189000    
 N   -6.390000      0.2449000     -0.3554000    
 N    4.426900      0.4506000      0.2705000    
 C   -2.105400       1.050800     -1.5699999E-02
 C   -1.071000     -3.1999999E-03 -0.4220000    
 C   -3.495400      0.7588000     -0.5897000    
 C   -4.514300       1.803600     -0.1328000    
 C   0.2851000      0.3138000      0.1985000    
 C   -5.889400       1.537800     -0.7340000    
 C    2.363600       1.603400     -0.2285000    
 C    3.389600      0.5578000     -0.6452000    
 C    2.672800       2.951000     -0.8618000    
 C   -1.063800      -2.481200     -0.6520000    
 C    5.502900     -0.5013000      0.1218000    
 C   -1.571300      -3.725700      2.5699999E-02
 C   -7.156000      2.3900000E-02  0.7817000    
 C    5.142400      -1.815700      0.7975000    
 C    6.813400      3.4899998E-02  0.6732000    
 C   -7.569400      -1.416000      0.9273000    
 H   -1.770600       2.041100     -0.3495000    
 H   -2.170600       1.099500       1.079600    
 H  -0.9724000     -2.0199999E-02  -1.514500    
 H   -3.821100     -0.2374000     -0.2708000    
 H   -3.441300      0.7474000      -1.685100    
 H   -4.579300       1.797400      0.9622000    
 H   -4.180800       2.803900     -0.4328000    
 H   -5.845500       1.566900      -1.827800    
 H   -6.593600       2.308300     -0.4021000    
 H    2.372500       1.710500      0.8628000    
 H   -1.952300      -1.411200      0.8882000    
 H   0.7205000       1.362300      -1.548200    
 H    1.925300       3.698100     -0.5747000    
 H    3.658500       3.312600     -0.5504000    
 H    2.675400       2.885100      -1.955800    
 H   -6.173800     -0.5411000     -0.9619000    
 H    4.433300       1.051900       1.089400    
 H    5.658000     -0.6685000     -0.9507000    
 H   -2.620700      -3.605300      0.3097000    
 H   -1.490500      -4.575300     -0.6579000    
 H  -0.9723000      -3.922100      0.9191000    
 H    4.991400      -1.677300       1.874300    
 H    4.218200      -2.232600      0.3829000    
 H    5.937400      -2.557700      0.6676000    
 H   -6.712000      -2.075900      0.7664000    
 H   -7.957500      -1.587500       1.935200    
 H   -8.349000      -1.646400      0.1962000    
 H    7.588300       1.550300       1.618800    


%chk=000152678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152678

0 1
O 1.253334 0.461188 1.250908
O 4.522699 1.522498 -1.794358
O -1.863430 -2.393811 -1.091535
O -7.574004 0.866116 1.131883
O 4.688263 -0.646747 2.510456
O 6.640999 -1.610974 1.700697
N -0.809569 -1.134052 0.556617
N 1.291361 1.524716 -0.812218
N -6.117539 -0.133001 -0.383883
N 4.010215 0.471558 0.222605
C -1.781370 1.109174 -0.082841
C -0.636986 0.063270 -0.274717
C -3.147096 0.595350 -0.583043
C -4.287641 1.609660 -0.353396
C 0.718317 0.686987 0.110248
C -5.639447 1.141860 -0.946274
C 2.529343 2.292985 -0.525498
C 3.783244 1.398143 -0.768801
C 2.584253 3.561909 -1.384928
C -1.366846 -2.306234 0.076517
C 5.137175 -0.465026 0.123736
C -1.350765 -3.484373 1.045745
C -7.061299 -0.182458 0.632312
C 4.819764 -1.688621 -0.784606
C 5.597689 -0.958869 1.491031
C -7.450590 -1.583320 1.101917
H -1.512179 2.037562 -0.627204
H -1.842175 1.372843 0.991570
H -0.636631 -0.267420 -1.333054
H -3.385345 -0.352466 -0.066104
H -3.072278 0.347718 -1.661776
H -4.419127 1.797693 0.729866
H -4.029833 2.583022 -0.819986
H -5.550493 1.031071 -2.044623
H -6.419855 1.892384 -0.731572
H 2.491242 2.546042 0.550523
H -0.319731 -1.106572 1.457899
H 0.882950 1.609653 -1.746027
H 1.674667 4.170476 -1.238416
H 3.461566 4.167974 -1.105596
H 2.700334 3.307020 -2.452767
H -5.719370 -1.004079 -0.737316
H 3.331255 0.377187 0.993156
H 5.985403 0.076065 -0.336676
H -0.868140 -3.253500 2.010617
H -2.387072 -3.813644 1.235643
H -0.822959 -4.330277 0.572620
H 3.962575 -2.259845 -0.387300
H 4.572970 -1.322396 -1.794422
H 5.697785 -2.353235 -0.848406
H -6.904359 -2.391748 0.585241
H -7.268250 -1.663184 2.187362
H -8.533365 -1.726633 0.942466
H 5.015541 -1.012938 3.375908


