%chk=000164451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164451

0 1
 O    5.062200      -3.541800     -0.7024000    
 O    5.504300     -0.8001000     -0.2709000    
 O  -0.9907000     -0.4226000       1.597700    
 O   -6.264000      0.6013000      0.3632000    
 O   -8.313200      0.5898000      -2.581500    
 O   -8.758500     -0.1185000     -0.4631000    
 N    2.023600      -1.480200     -0.2302000    
 C    4.086300      -2.563800      -1.073300    
 C    3.095200      -2.415500      8.3400004E-02
 C    4.805900      -1.262900      -1.422600    
 C    1.065000      -1.400700      0.8637000    
 C  -7.3399998E-02 -0.4562000      0.5123000    
 C    5.676000      0.5538000     -0.1582000    
 C   -2.301900     -0.1679000       1.291000    
 C   -2.610000      0.6228000      0.1897000    
 C   -3.310800     -0.7028000       2.083900    
 C    5.776400       1.333700      -1.305200    
 C    5.749300       1.136600       1.102400    
 C   -4.962100      0.3486000      0.6681000    
 C   -3.944500      0.8819000     -0.1228000    
 C   -4.645300     -0.4438000       1.771500    
 C    5.952200       2.712800      -1.190500    
 C    5.925000       2.515600       1.217300    
 C    6.026500       3.303600      7.0799999E-02
 C   -6.580600      0.8079000      -1.012700    
 C   -7.993100      0.3684000      -1.281600    
 H    3.572200      -2.945500      -1.962700    
 H    3.625400      -2.101300      0.9915000    
 H    2.680300      -3.407300      0.3072000    
 H    1.550100      -1.775200      -1.083700    
 H    4.064900     -0.5385000      -1.782500    
 H    5.542200      -1.454800      -2.212000    
 H    1.553400      -1.046100       1.779800    
 H   0.6492000      -2.390200       1.092800    
 H   0.3137000      0.5552000      0.3386000    
 H  -0.5501000     -0.8260000     -0.4057000    
 H    5.552900      -3.194600      6.2199999E-02
 H   -1.847800       1.084600     -0.4305000    
 H   -3.068300      -1.320700       2.943800    
 H    5.754200      0.9106000      -2.304800    
 H    5.670100      0.5264000       1.997800    
 H   -4.148500       1.530100     -0.9700000    
 H   -5.433900     -0.8622000       2.391000    
 H    6.038300       3.326000      -2.082800    
 H    5.983000       2.975800       2.199400    
 H    6.165000       4.377100      0.1602000    
 H   -6.496000       1.875400      -1.241600    
 H   -5.939700      0.2059000      -1.668700    
 H   -9.231700      0.3118000      -2.784700    


%chk=000164451-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164451

0 1
O 5.816650 -3.037999 -0.389779
O 5.276658 -0.361055 0.006246
O -1.219559 -1.533218 1.211689
O -6.349250 0.605695 0.279322
O -8.525539 2.159752 -2.172439
O -8.933461 1.606949 0.055618
N 2.102664 -2.402570 -0.209172
C 4.519265 -2.484528 -0.796561
C 3.456129 -2.712614 0.305420
C 4.656360 -1.003076 -1.172240
C 1.052001 -2.221884 0.817158
C -0.187559 -1.595104 0.167665
C 5.538301 1.019827 -0.044866
C -2.463764 -0.976561 0.865324
C -2.793210 -0.469276 -0.411731
C -3.427119 -0.945198 1.907770
C 5.231598 1.843842 -1.155260
C 6.143835 1.568918 1.112326
C -5.035377 0.096577 0.393066
C -4.082811 0.069383 -0.649240
C -4.703015 -0.412864 1.674023
C 5.538482 3.223606 -1.094931
C 6.442504 2.945031 1.155848
C 6.142367 3.782066 0.052620
C -6.727714 1.142411 -1.011428
C -8.164665 1.634573 -0.917964
H 4.238591 -3.053621 -1.703145
H 3.668459 -2.033864 1.152351
H 3.571330 -3.756575 0.675210
H 1.812083 -3.085644 -0.923794
H 3.656668 -0.570588 -1.367499
H 5.320463 -0.880109 -2.049732
H 1.436396 -1.535558 1.592834
H 0.752455 -3.164133 1.331911
H 0.048882 -0.580822 -0.210271
H -0.548201 -2.217380 -0.680546
H 6.228805 -2.378318 0.228377
H -2.067300 -0.480584 -1.229941
H -3.152698 -1.342105 2.889584
H 4.761830 1.431858 -2.052901
H 6.368262 0.908978 1.956319
H -4.313876 0.457067 -1.646205
H -5.458230 -0.379708 2.464601
H 5.301286 3.860887 -1.954342
H 6.910571 3.365560 2.052811
H 6.376179 4.851025 0.089977
H -6.082349 1.994577 -1.311169
H -6.670391 0.375126 -1.811857
H -9.464285 2.487749 -2.136457


