%chk=000159983.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159983

0 1
 O    4.681900       2.275800      0.4171000    
 O    5.045100      0.6190000      -1.715000    
 O    6.659900      0.2569000      0.5476000    
 O    2.585300       1.320300      -2.389300    
 O    6.081800      -1.640600       2.822100    
 O   -1.241500      -2.115800      0.8451000    
 O  -0.1738000      -2.597300      -1.096400    
 N   0.3289000      9.6699998E-02  -1.406000    
 N   -5.157600      -1.522900     -0.1019000    
 C  -0.8588000     -0.2974000     -0.6601000    
 C   -2.110300     -1.7200001E-02  -1.504800    
 C    4.333500      0.8963000      0.5947000    
 C    4.037600      0.2730000     -0.7764000    
 C   -3.393900     -0.3757000     -0.8093000    
 C    1.462100      0.2958000     -0.5139000    
 C    5.483300      0.2185000       1.364000    
 C   -4.176400      0.4770000      1.8700000E-02
 C    2.676900      0.6938000      -1.332800    
 C   -5.276900     -0.2670000      0.4494000    
 C   -4.022900      -1.598100     -0.8641000    
 C    5.225900      -1.234600       1.761200    
 C  -0.7163000      -1.780700     -0.3625000    
 C   -4.053500       1.814600      0.4443000    
 C   -6.264600      0.2618000       1.287900    
 C   -5.034000       2.357000       1.283300    
 C   -6.121700       1.590700       1.697200    
 H  -0.9266000      0.2597000      0.2835000    
 H   -2.060600     -0.5795000      -2.448000    
 H   -2.144300       1.044200      -1.784100    
 H    3.446000      0.8713000       1.236400    
 H    4.013600     -0.8199000     -0.7147000    
 H    5.718300      0.8068000       2.259300    
 H    1.700100     -0.6292000      2.1600001E-02
 H    1.269900       1.094900      0.2102000    
 H   0.1476000      0.9719000      -1.898200    
 H   -3.766900      -2.515100      -1.376500    
 H   -5.813500      -2.279200      3.6600001E-02
 H    5.399100      -1.911800      0.9185000    
 H    4.196500      -1.355200       2.113500    
 H   -3.211300       2.425500      0.1321000    
 H   -7.111700     -0.3340000       1.610900    
 H    3.921400       2.718200      3.0000000E-03
 H    5.117000       1.588700      -1.729100    
 H   -4.944300       3.388000       1.615100    
 H    6.817700       1.186400      0.3088000    
 H   -6.871500       2.031900       2.348900    
 H    5.862800      -2.565400       3.028100    
 H   -1.137900      -3.072500       1.035700    


%chk=000159983-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159983

0 1
O 5.286621 0.480343 -1.467522
O 3.714300 -1.177478 0.696805
O 6.407000 -1.167844 0.290819
O 2.644654 1.021874 -1.590082
O 7.563196 -0.192413 2.706940
O -0.597805 -2.386758 -0.327741
O -1.400638 -1.799303 -2.429959
N 0.073756 0.601888 -0.750712
N -5.716595 -0.877114 -1.185184
C -1.234263 -0.064784 -0.628723
C -2.345028 0.763308 -1.321976
C 5.055533 0.845960 -0.063548
C 3.723331 0.282280 0.502681
C -3.732004 0.249030 -1.027930
C 1.153680 0.217672 0.148375
C 6.298945 0.278632 0.653835
C -4.525828 0.536064 0.156884
C 2.513038 0.568620 -0.412182
C -5.767555 -0.184194 0.030868
C -4.491637 -0.614810 -1.816652
C 6.298594 0.324366 2.184806
C -1.145867 -1.474216 -1.248217
C -4.311014 1.337633 1.309868
C -6.779693 -0.125012 1.014218
C -5.315842 1.400089 2.294909
C -6.536542 0.675542 2.149218
H -1.470206 -0.178843 0.443936
H -2.156281 0.757500 -2.411851
H -2.230052 1.805028 -0.969967
H 5.031790 1.950748 0.053083
H 3.544346 0.768842 1.487424
H 7.197198 0.799880 0.270660
H 1.192776 -0.875931 0.372618
H 1.053985 0.712164 1.141116
H 0.383823 0.808403 -1.708436
H -4.234897 -1.068120 -2.772246
H -6.451520 -1.475391 -1.555103
H 5.439467 -0.249882 2.589575
H 6.238789 1.367739 2.537437
H -3.380420 1.904572 1.430455
H -7.720468 -0.676799 0.906819
H 4.466896 0.751316 -1.974769
H 4.658301 -1.505163 0.550118
H -5.164486 2.015093 3.189078
H 6.448550 -1.191228 -0.704564
H -7.299234 0.744381 2.932984
H 7.702417 -1.089124 2.304797
H -0.461712 -3.268957 -0.771259


