%chk=000058862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058862

0 1
 O  -0.2188000     -0.7042000     -0.2948000    
 O    2.749800     -0.4620000      -2.145300    
 O   0.1580000     -4.6100002E-02  -2.464900    
 N   -3.819100     -7.9999998E-04  6.9899999E-02
 C   -5.808600      -1.590800      5.4400001E-02
 C   -6.072500       1.098900      0.5190000    
 C   -6.307000     -0.8128000      -1.173400    
 C   -6.674400      -1.265300       1.274800    
 C   -6.457000      0.6933000     -0.9124000    
 C   -6.818300      0.2287000       1.534700    
 C   -4.308400      -1.353800      0.3367000    
 C   -4.545700       1.070700      0.7523000    
 C   -2.383500      9.3999997E-02  0.3362000    
 C   -1.605600     -0.8414000     -0.5756000    
 C    2.044300     -0.2093000     -0.9207000    
 C   0.5699000     -0.2939000      -1.337000    
 C    2.410700      -1.354800      6.0899999E-02
 C    2.357900       1.196200     -0.4108000    
 C    3.877300      -1.427500      0.4322000    
 C    1.664400       1.674300      0.6787000    
 C    3.323300       1.934600      -1.058400    
 C    4.730600      -2.197100     -0.3383000    
 C    4.330100     -0.7223000       1.533100    
 C    1.950800       2.957500       1.144600    
 C    3.609700       3.217800     -0.5924000    
 C    2.923400       3.729200      0.5091000    
 C    6.081300      -2.264000      3.3000000E-03
 C    5.680900     -0.7892000       1.874500    
 C    6.556500      -1.560000       1.109600    
 H   -5.928900      -2.663100     -0.1522000    
 H   -6.397300       2.136200      0.6769000    
 H   -5.638400     -0.9797000      -2.026800    
 H   -7.283800      -1.212100      -1.476200    
 H   -7.675200      -1.690800       1.123000    
 H   -6.276500      -1.761700       2.168300    
 H   -5.863600       1.259700      -1.640600    
 H   -7.502200      0.9753000      -1.094100    
 H   -6.487100      0.4627000       2.553800    
 H   -7.885300      0.4863000       1.506100    
 H   -4.066300      -1.667400       1.360500    
 H   -3.808000      -2.058500     -0.3348000    
 H   -4.156400       2.026100      0.3749000    
 H   -4.335500       1.059000       1.830000    
 H   -2.027900       1.115900      0.1487000    
 H   -2.149400     -0.1184000       1.387800    
 H   -1.860500     -0.6594000      -1.625800    
 H   -1.821000      -1.892100     -0.3653000    
 H    2.118200      -2.321600     -0.3736000    
 H    1.830000      -1.275300      0.9902000    
 H    2.564400      -1.375900      -2.421900    
 H   0.9131000       1.086400       1.195000    
 H    3.881800       1.567800      -1.912700    
 H    4.370600      -2.749900      -1.200900    
 H    3.657800     -0.1263000       2.142500    
 H    1.418700       3.354600       2.004100    
 H    4.368300       3.818500      -1.085700    
 H    3.147400       4.727700      0.8727000    
 H    6.763000      -2.864300     -0.5920000    
 H    6.050600     -0.2426000       2.737100    
 H    7.608100      -1.612300       1.375900    


%chk=000058862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058862

0 1
O -0.195370 -0.972018 -0.287366
O 2.669399 0.254268 -2.179866
O -0.000198 0.213436 -2.281790
N -3.853257 -0.004580 -0.035851
C -5.808222 -1.082069 1.197662
C -6.144653 0.787763 -0.813940
C -6.121419 -1.730575 -0.176439
C -6.882516 -0.017720 1.541770
C -6.362291 -0.668626 -1.302706
C -7.014274 1.078532 0.439764
C -4.354793 -0.523935 1.255904
C -4.637079 1.112911 -0.610257
C -2.391797 0.217680 -0.044196
C -1.682781 -1.076058 -0.490706
C 2.024559 -0.136770 -0.925173
C 0.511916 -0.275187 -1.241168
C 2.632579 -1.511107 -0.490030
C 2.218368 0.951393 0.159486
C 4.120627 -1.453952 -0.179503
C 1.576031 0.861158 1.421104
C 3.091658 2.034634 -0.095862
C 5.081483 -1.382868 -1.221565
C 4.576071 -1.485127 1.162942
C 1.801610 1.845997 2.407915
C 3.314449 3.019903 0.892280
C 2.670356 2.931110 2.147050
C 6.462042 -1.343735 -0.926302
C 5.957002 -1.446312 1.462098
C 6.905913 -1.376832 0.416815
H -5.868306 -1.869643 1.977266
H -6.490110 1.477552 -1.611895
H -5.285755 -2.395445 -0.461508
H -7.020245 -2.368402 -0.063010
H -7.851246 -0.539896 1.667752
H -6.647454 0.440009 2.522261
H -5.690936 -0.869612 -2.157812
H -7.399986 -0.752788 -1.682084
H -6.740463 2.073199 0.842295
H -8.071568 1.156391 0.119754
H -4.297226 0.254325 2.062126
H -3.675001 -1.342779 1.561789
H -4.188533 1.342321 -1.595609
H -4.556204 2.044006 0.009996
H -2.142131 1.021238 -0.758393
H -2.000244 0.529875 0.952295
H -1.885223 -1.282124 -1.554676
H -1.967364 -1.937598 0.132180
H 2.439010 -2.218392 -1.318245
H 2.069575 -1.864318 0.390632
H 1.959195 0.647604 -2.761609
H 0.896935 0.027757 1.630836
H 3.596178 2.081076 -1.064971
H 4.735738 -1.339737 -2.259300
H 3.844069 -1.535657 1.978470
H 1.299228 1.766823 3.378973
H 3.996505 3.851982 0.683534
H 2.844815 3.695112 2.913209
H 7.191846 -1.288474 -1.742408
H 6.290534 -1.471139 2.505910
H 7.977655 -1.349879 0.645074


