%chk=000059672.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059672

0 1
 O   -2.541000      -1.338200      0.7023000    
 O   7.7299997E-02 -0.9474000      0.8928000    
 N    4.495800     -5.4200001E-02  6.1600000E-02
 N   0.9028000      0.4283000     -0.7826000    
 N   -5.092300       2.627300     -0.2350000    
 C    3.170300      0.5615000      0.1156000    
 C    2.220200     -0.1441000     -0.8409000    
 C    5.037300      1.6200000E-02  -1.294900    
 C    5.400800      0.5975000       1.007800    
 C    6.388400     -0.6730000      -1.383200    
 C    4.853600      0.5338000       2.423700    
 C  -7.5499997E-02 -2.7600000E-02  9.3199998E-02
 C   -1.394000      0.6519000      1.1900000E-02
 C   -2.571000     -3.0500000E-02  0.3196000    
 C   -1.445300       1.990200     -0.3780000    
 C   -3.799300      0.6254000      0.2374000    
 C   -3.677500      -2.134900      0.3752000    
 C   -3.850500       1.963600     -0.1526000    
 C   -3.231100      -3.577500      0.1940000    
 C   -2.673500       2.646000     -0.4602000    
 C   -2.195400      -3.714100     -0.9075000    
 H    3.213600       1.633700     -0.1188000    
 H    2.728200      0.4682000       1.113300    
 H    2.157300      -1.215000     -0.6152000    
 H    2.508100     -2.7799999E-02  -1.888400    
 H    4.410700     -0.5322000      -2.003000    
 H    5.121200       1.049700      -1.653500    
 H    6.364100      7.8000002E-02   1.039600    
 H    5.596500       1.642400      0.7357000    
 H   0.6913000       1.158200      -1.454900    
 H    7.189800     -8.2900003E-02 -0.9283000    
 H    6.369700      -1.665600     -0.9200000    
 H    6.662900     -0.8100000      -2.435500    
 H    5.645600      0.7995000       3.133300    
 H    4.510200     -0.4734000       2.683800    
 H    4.038800       1.245100       2.591100    
 H  -0.5505000       2.566200     -0.5952000    
 H   -4.731300      0.1321000      0.5002000    
 H   -4.152500      -1.810200     -0.5598000    
 H   -4.404900      -2.077400       1.192900    
 H   -2.792200      -3.946100       1.128600    
 H   -4.099300      -4.204900     -3.5200000E-02
 H   -2.700300       3.691000     -0.7585000    
 H   -2.581100      -3.335400      -1.859500    
 H   -1.276500      -3.170000     -0.6679000    
 H   -1.930600      -4.767300      -1.045900    
 H   -5.946600       2.133100     -1.4500000E-02
 H   -5.129900       3.597000     -0.5196000    


%chk=000059672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059672

0 1
O -2.363498 -1.248716 0.380778
O 0.430284 -0.426951 0.925556
N 4.592101 0.309590 -0.244906
N 0.900408 0.363567 -1.207487
N -5.119577 2.707157 -0.557584
C 3.225941 0.869912 -0.396194
C 2.295376 -0.107832 -1.163191
C 5.661459 1.124794 -0.875340
C 4.902342 -0.116414 1.145011
C 6.923332 0.310948 -1.226240
C 4.012194 -1.273112 1.640165
C 0.045221 0.180602 -0.123076
C -1.316970 0.796170 -0.297256
C -2.517851 0.090614 0.024049
C -1.441235 2.143155 -0.717534
C -3.776673 0.726031 -0.065656
C -3.555119 -2.021423 0.778105
C -3.873211 2.085185 -0.479201
C -3.068020 -3.422036 1.160658
C -2.685135 2.794250 -0.811769
C -2.437806 -4.186815 -0.021810
H 3.260583 1.838257 -0.935941
H 2.764442 1.071653 0.592202
H 2.320356 -1.084111 -0.650674
H 2.664238 -0.250261 -2.194370
H 5.248435 1.542603 -1.812977
H 5.951553 2.000027 -0.236670
H 5.957662 -0.444129 1.172245
H 4.814254 0.746449 1.856064
H 0.523627 0.767241 -2.065628
H 7.429549 -0.081101 -0.326159
H 6.653461 -0.546656 -1.867353
H 7.650539 0.945808 -1.766582
H 4.299421 -1.554084 2.670985
H 4.137959 -2.157640 0.989785
H 2.940941 -1.002220 1.650987
H -0.528633 2.709526 -0.938687
H -4.693344 0.177628 0.172686
H -4.270097 -2.066655 -0.071886
H -4.047492 -1.520713 1.637585
H -2.331669 -3.322687 1.979614
H -3.934382 -3.984114 1.564139
H -2.738589 3.843924 -1.122034
H -3.166727 -4.326543 -0.843086
H -1.573655 -3.628395 -0.419333
H -2.088184 -5.185671 0.295578
H -5.969187 2.212603 -0.303287
H -5.196229 3.676789 -0.849281


