%chk=000144467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144467

0 1
 O    4.959600      0.8144000      0.1947000    
 O    4.416100      -1.312300      0.1674000    
 N   -1.939700     -0.2971000      0.1372000    
 N    4.099500     -9.8399997E-02  0.1569000    
 C  -0.8142000      -1.250100     -6.4999998E-02
 C   -1.456100       1.093000     -8.6000003E-02
 C   0.4173000     -0.3770000      3.0000001E-04
 C   4.8099998E-02  0.9706000     -1.1600000E-02
 C  -0.8302000      -2.259500       1.093600    
 C  -0.8385000      -1.998000      -1.410400    
 C   -1.989700       1.972500       1.055500    
 C   -1.851800       1.701300      -1.443700    
 C   -3.224300     -0.6543000     -0.4366000    
 C    1.754000     -0.7482000      5.5000000E-02
 C    1.008600       1.972000      3.0800000E-02
 C   -2.044700      -3.158400       1.014600    
 C   0.3697000      -2.895900      -1.552000    
 C   -1.607300       1.403700       2.404300    
 C   -1.215700       3.059900      -1.633500    
 C   -4.339600      0.2022000      0.1384000    
 C    2.724800      0.2538000      0.1010000    
 C    2.354300       1.605600      8.9100003E-02
 H  -0.8440000      -1.733500       2.058900    
 H   7.6600000E-02  -2.870700       1.139000    
 H  -0.8197000      -1.280200      -2.242100    
 H   -1.747300      -2.584000      -1.570500    
 H   -3.064300       2.151500       1.021200    
 H   -1.542700       2.972000       1.032400    
 H   -2.931400       1.831100      -1.543600    
 H   -1.538000       1.054700      -2.273000    
 H   -3.222400     -0.5530000      -1.528600    
 H   -3.508700      -1.689300     -0.2600000    
 H    2.031000      -1.794200      0.1197000    
 H   0.7529000       3.024000      7.6600000E-02
 H   -2.948200      -2.665100       1.381800    
 H   -2.226000      -3.640100      5.4400001E-02
 H   -1.890000      -3.985800       1.720300    
 H    1.268700      -2.353700      -1.854000    
 H   0.5808000      -3.546000     -0.7028000    
 H   0.1795000      -3.578200      -2.391700    
 H   -2.084100      0.4394000       2.604400    
 H  -0.5277000       1.295800       2.541800    
 H   -1.951800       2.084800       3.191600    
 H   -1.322700       3.755700     -0.8013000    
 H  -0.1726000       2.997800      -1.953100    
 H   -1.720400       3.548600      -2.478100    
 H   -4.311400      0.2283000       1.232800    
 H   -4.387100       1.215800     -0.2584000    
 H   -5.301300     -0.2540000     -0.1288000    
 H    3.093800       2.401700      0.1352000    


%chk=000144467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000144467

0 1
O 5.073041 0.756892 0.485863
O 4.457395 -1.435903 0.385206
N -1.911098 -0.240227 0.041924
N 4.181206 -0.172536 0.378364
C -0.801054 -1.262955 -0.124729
C -1.415418 1.182659 -0.120276
C 0.438347 -0.379083 -0.013144
C 0.092932 0.993216 -0.016060
C -0.784362 -2.295994 1.053703
C -0.855334 -1.963480 -1.536078
C -1.920092 2.123534 1.029572
C -1.825098 1.779516 -1.521449
C -3.259315 -0.601850 -0.453796
C 1.779569 -0.777264 0.127055
C 1.089884 1.984957 0.122983
C -1.970493 -3.277395 1.166653
C 0.233193 -3.015741 -1.838794
C -1.664170 1.591092 2.452273
C -1.300038 3.187393 -1.878019
C -4.434545 -0.020519 0.363347
C 2.763065 0.231212 0.237847
C 2.441817 1.607270 0.240339
H -0.712940 -1.708920 1.988904
H 0.151949 -2.884645 0.980542
H -0.814433 -1.168258 -2.306898
H -1.843204 -2.449225 -1.644505
H -3.001048 2.306624 0.888711
H -1.426225 3.108266 0.911397
H -2.932195 1.802740 -1.560916
H -1.495529 1.066818 -2.303482
H -3.408782 -0.342129 -1.527525
H -3.338757 -1.699449 -0.399469
H 2.088868 -1.823729 0.174507
H 0.822030 3.045020 0.162597
H -2.909507 -2.754740 1.419251
H -2.129963 -3.855037 0.236916
H -1.775412 -4.006255 1.974949
H 1.246414 -2.577868 -1.838913
H 0.217505 -3.848365 -1.112595
H 0.065900 -3.450187 -2.841772
H -2.105662 0.586393 2.569167
H -0.582622 1.512359 2.666831
H -2.110242 2.263975 3.207418
H -1.633215 3.953028 -1.154745
H -0.197765 3.214529 -1.930070
H -1.682124 3.486991 -2.871440
H -4.304375 -0.237725 1.438542
H -4.534861 1.071873 0.243455
H -5.383892 -0.477410 0.024882
H 3.242354 2.343731 0.345576


