%chk=000166560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166560

0 1
 O  -0.7621000     -0.1902000       2.438600    
 O   0.7489000      0.5572000      -1.230400    
 N   -2.351900      -2.321200     -0.7967000    
 C   -1.158100     -0.3038000       1.056400    
 C  -0.3557000      -1.490800      0.4455000    
 C   -2.653300     -0.7246000       1.046100    
 C  -0.9269000      -1.981100     -0.9070000    
 C   -3.132600      -1.168400     -0.3356000    
 C  -0.9557000       1.099000      0.4734000    
 C    1.125900      -1.194400      0.3695000    
 C    1.606500     -0.1599000     -0.4360000    
 C  -7.3500000E-02   1.439000     -0.5675000    
 C   -2.864500      -2.810900      -2.076100    
 C    2.047100      -1.938400       1.119700    
 C   -1.690800       2.164700       1.045200    
 C    2.972300      0.1148000     -0.5269000    
 C   2.9000000E-03   2.754400      -1.057900    
 C    3.413400      -1.657100       1.048800    
 C   -1.597800       3.476500      0.5725000    
 C    3.875500     -0.6326000      0.2245000    
 C  -0.7562000       3.770000     -0.4892000    
 C    3.486800       1.197900      -1.417000    
 H  -0.4678000      -2.334200       1.145700    
 H   -3.310500      6.7000002E-02   1.422100    
 H   -2.793500      -1.552700       1.756800    
 H  -0.7860000      -1.242500      -1.703400    
 H  -0.3661000      -2.875000      -1.211800    
 H   -4.189200      -1.451000     -0.2514000    
 H   -3.075100     -0.3346000      -1.046900    
 H   0.1271000      0.2023000       2.473700    
 H   -2.796900      -2.054700      -2.866600    
 H   -3.912600      -3.115500      -1.979200    
 H   -2.309100      -3.698500      -2.399000    
 H    1.709600      -2.744700       1.766000    
 H   -2.355800       1.984100       1.887600    
 H   0.6709000       2.991700      -1.883000    
 H    4.117200      -2.241100       1.634800    
 H   -2.185800       4.263000       1.036400    
 H    4.942700     -0.4327000      0.1775000    
 H  -0.6831000       4.785100     -0.8669000    
 H    4.578200       1.166500      -1.505500    
 H    3.080700       1.094100      -2.428700    
 H    3.212200       2.178900      -1.016800    


%chk=000166560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166560

0 1
O -0.763861 -0.180632 2.551319
O 0.886719 0.679585 -1.176516
N -2.320866 -2.225504 -0.815325
C -1.141458 -0.273689 1.111877
C -0.327601 -1.430832 0.451988
C -2.618975 -0.739074 1.149657
C -0.900167 -1.824333 -0.939686
C -3.140310 -1.130262 -0.243773
C -0.990432 1.125144 0.472064
C 1.169664 -1.185044 0.415217
C 1.724727 -0.160211 -0.385625
C -0.093523 1.511221 -0.563697
C -2.864884 -2.731216 -2.089820
C 2.063402 -2.010891 1.142442
C -1.829126 2.156970 0.988617
C 3.121854 0.043727 -0.523232
C -0.124878 2.811922 -1.124010
C 3.459387 -1.827818 1.044138
C -1.848513 3.461207 0.464014
C 3.979707 -0.813034 0.209233
C -1.005863 3.786959 -0.625937
C 3.663964 1.139410 -1.418833
H -0.510157 -2.299296 1.112933
H -3.263117 0.042240 1.586171
H -2.664872 -1.619132 1.816013
H -0.765490 -0.989350 -1.667948
H -0.325739 -2.688714 -1.321868
H -4.183996 -1.485951 -0.157442
H -3.151519 -0.229375 -0.912054
H 0.189608 0.093583 2.599497
H -2.874664 -1.962947 -2.904537
H -3.901541 -3.082193 -1.938303
H -2.260847 -3.588283 -2.438175
H 1.652158 -2.807424 1.773149
H -2.475079 1.914137 1.838099
H 0.572524 3.031059 -1.938458
H 4.139066 -2.474958 1.608716
H -2.513513 4.216133 0.896408
H 5.063961 -0.674149 0.125486
H -1.016940 4.791231 -1.062879
H 4.765270 1.179364 -1.368130
H 3.368304 0.977918 -2.471460
H 3.264915 2.128104 -1.128030


