%chk=000034458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034458

0 1
 O   -5.041200       2.081500      0.3799000    
 O   -6.181800      6.6500001E-02 -0.2848000    
 O    4.327900      -1.417100      0.4069000    
 O    5.789500      0.8335000     -0.2146000    
 N   8.5299999E-02  -1.373100     -6.2600002E-02
 C  -0.5699000     -0.1325000      0.4192000    
 C   0.1230000       1.058700     -0.2881000    
 C   -2.083100     -0.1142000      0.2018000    
 C  -0.6547000      -2.567700      0.3519000    
 C    1.476200      -1.440000      0.4173000    
 C   -2.008800      -2.588800     -0.3516000    
 C   -2.770800      -1.306300     -0.1480000    
 C    1.630200      0.9914000     -0.2494000    
 C    2.279100     -0.2151000      5.6299999E-02
 C   -2.822500       1.063800      0.4161000    
 C   -4.161900      -1.300500     -0.3448000    
 C    3.679500     -0.2616000      7.8400001E-02
 C    2.390400       2.124800     -0.5673000    
 C   -4.189600       1.030700      0.2259000    
 C   -4.840500     -0.1176000     -0.1497000    
 C    4.427700      0.8743000     -0.2293000    
 C    3.783700       2.065700     -0.5548000    
 C   -6.301900       1.464500      4.8200000E-02
 C    5.200100      -1.969400     -0.5753000    
 C    6.433800       1.148300       1.018200    
 H  -0.4168000     -4.8300002E-02   1.506000    
 H  -0.1843000       1.998700      0.1858000    
 H  -0.1862000       1.102900      -1.341400    
 H  -0.7840000      -2.593300       1.442300    
 H  -0.1106000      -3.476400      6.6500001E-02
 H    1.950000      -2.316100     -4.2500000E-02
 H    1.508900      -1.567200       1.507500    
 H   -2.591000      -3.434100      3.4699999E-02
 H   -1.870500      -2.743100      -1.429200    
 H   -2.344800       1.985600      0.7296000    
 H   -4.690600      -2.202900     -0.6340000    
 H    1.899700       3.060100     -0.8247000    
 H    4.360300       2.953700     -0.7998000    
 H   -6.737400       1.993300     -0.8074000    
 H   -6.977800       1.564400      0.9053000    
 H    4.925300      -1.670000      -1.592900    
 H    5.129900      -3.059300     -0.5121000    
 H    6.234100      -1.685800     -0.3608000    
 H    6.123800      0.4534000       1.805000    
 H    6.209100       2.177500       1.315800    
 H    7.513500       1.053700      0.8740000    


%chk=000034458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034458

0 1
O -5.121550 2.066195 0.605074
O -6.267348 0.069661 -0.070549
O 4.342101 -1.340331 0.481231
O 5.860520 1.062740 -0.171864
N 0.112527 -1.354009 -0.052348
C -0.545626 -0.087294 0.362363
C 0.086638 1.049490 -0.482549
C -2.070211 -0.133433 0.211769
C -0.629679 -2.569149 0.339622
C 1.524203 -1.398499 0.383418
C -1.970164 -2.604059 -0.409175
C -2.752781 -1.321535 -0.167767
C 1.605781 1.038164 -0.399916
C 2.286328 -0.139942 0.002797
C -2.805346 1.059198 0.491501
C -4.173988 -1.333127 -0.300180
C 3.702720 -0.143453 0.064112
C 2.356329 2.190670 -0.740607
C -4.189029 1.023957 0.346488
C -4.863340 -0.149548 -0.049741
C 4.444084 1.031461 -0.236326
C 3.763408 2.193118 -0.656861
C -6.423407 1.535717 0.122720
C 5.250197 -1.937028 -0.527613
C 6.413087 0.883540 1.190853
H -0.320119 0.124518 1.444026
H -0.293265 2.034718 -0.153245
H -0.240383 0.907282 -1.530907
H -0.807702 -2.617539 1.444931
H -0.016917 -3.448225 0.066099
H 2.011125 -2.279162 -0.073533
H 1.609699 -1.543602 1.493335
H -2.566323 -3.478640 -0.085063
H -1.763162 -2.727489 -1.490172
H -2.303474 1.974406 0.817504
H -4.702519 -2.248715 -0.581334
H 1.831171 3.098605 -1.060114
H 4.353111 3.083212 -0.897656
H -6.665347 2.003333 -0.851237
H -7.190808 1.716234 0.890631
H 4.678776 -2.227818 -1.429636
H 5.674751 -2.831413 -0.046214
H 6.048603 -1.226846 -0.806368
H 6.085047 -0.077024 1.628200
H 6.095503 1.719454 1.842973
H 7.507081 0.898806 1.068827


