%chk=000116879.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116879

0 1
 O   7.1900003E-02  -1.489500     -0.1057000    
 O   -2.472500       1.012800      0.3310000    
 O    2.336300       1.122900      0.3282000    
 N  -6.4099997E-02  0.8965000      0.3452000    
 N   0.3727000      -5.145400     -6.1099999E-02
 N   -6.060200       1.393200     -0.3341000    
 N    5.895800       1.721500     -0.3284000    
 C  -3.9400000E-02 -0.4710000      0.8928000    
 C   -1.278200       1.141800     -0.4491000    
 C    1.137900       1.183400     -0.4537000    
 C   0.1448000      -2.786900      0.4697000    
 C   -3.638300       1.259900     -0.4438000    
 C    3.482200       1.478700     -0.4339000    
 C   0.2615000      -3.824200     -0.6342000    
 C   -4.869800       1.109400      0.4330000    
 C    4.719300       1.396800      0.4440000    
 H  -0.9418000     -0.6487000       1.490900    
 H   0.8076000     -0.5573000       1.585100    
 H   -1.249500       2.168000     -0.8356000    
 H   -1.328700      0.4558000      -1.304600    
 H    1.223900      0.4947000      -1.303900    
 H    1.059400       2.202900     -0.8517000    
 H    1.018900      -2.837900       1.130800    
 H  -0.7564000      -2.970300       1.067500    
 H   -3.589400       2.275700     -0.8553000    
 H   -3.677000      0.5471000      -1.276800    
 H    3.573800      0.7919000      -1.284500    
 H    3.359300       2.498200     -0.8200000    
 H  -0.6146000      -3.769000      -1.289800    
 H    1.132800      -3.606200      -1.262300    
 H   -4.912900      9.5500000E-02  0.8469000    
 H   -4.802500       1.790800       1.288500    
 H    4.624000       2.080700       1.294600    
 H    4.813700      0.3916000      0.8698000    
 H    1.207600      -5.204800      0.5205000    
 H   0.4938000      -5.832200     -0.8041000    
 H   -6.885000       1.247900      0.2465000    
 H   -6.139500      0.7382000      -1.110900    
 H    5.803700       2.654500     -0.7286000    
 H    5.980400       1.084500      -1.119600    


%chk=000116879-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116879

0 1
O 0.144490 -2.557598 -0.907662
O -1.831297 1.105892 -0.008206
O 1.693796 1.306196 0.022062
N 0.015212 -0.176349 -0.854866
N 0.347682 -6.244477 -0.378384
N -5.085184 2.716492 0.843430
N 4.684512 3.391104 1.003770
C 0.068066 -1.355505 -0.034420
C -1.266566 0.382344 -1.176428
C 1.235057 0.514122 -1.152269
C 0.190361 -3.797809 -0.122068
C -3.206448 1.557201 -0.256249
C 3.003867 1.925395 -0.208187
C 0.247101 -4.968920 -1.113656
C -3.685926 2.277815 1.012254
C 3.386826 2.697353 1.074576
H -0.839281 -1.419697 0.600252
H 0.959555 -1.324128 0.625270
H -1.162352 1.085216 -2.029915
H -1.974243 -0.427203 -1.461030
H 2.033153 -0.215873 -1.410864
H 1.077292 1.196959 -2.013752
H 1.089677 -3.805228 0.538009
H -0.707235 -3.899240 0.525054
H -3.255114 2.254155 -1.120275
H -3.866439 0.685698 -0.481519
H 3.773108 1.148446 -0.434111
H 2.962089 2.625467 -1.075912
H -0.688434 -4.973416 -1.701257
H 1.078367 -4.779877 -1.831043
H -3.513000 1.605256 1.882988
H -3.051152 3.168515 1.165296
H 2.593913 3.434929 1.292248
H 3.400722 1.990355 1.923569
H 1.253883 -6.412980 0.066575
H 0.002217 -7.063355 -0.882954
H -5.354533 3.526510 1.405388
H -5.778539 1.964741 0.885135
H 4.723966 4.173338 0.345313
H 5.502332 2.779656 0.937141


