%chk=000131779.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131779

0 1
 O   -1.384900      -2.612600      -1.013200    
 O   0.8362000     -0.3793000       2.046000    
 O   0.5277000       1.766100       1.357700    
 N  -0.6794000      0.1922000     -0.8294000    
 N   -4.082500     -0.9521000      0.3106000    
 N   -1.024600      -2.416300       1.246800    
 N    3.613600     -0.8259000     -0.5170000    
 N    5.201000      0.6270000      3.2099999E-02
 C   -3.139500     -0.1642000     -0.4994000    
 C   -1.698900     -0.4315000      1.6799999E-02
 C   -3.553000       1.338700     -0.5036000    
 C   0.6493000     -3.7900001E-02 -0.2858000    
 C   -3.370700       1.989800      0.8749000    
 C   -4.982500       1.582500     -0.9996000    
 C    1.697900      0.6119000      -1.199000    
 C   -1.350500      -1.920600      1.9000000E-03
 C    3.110700      0.4071000     -0.7011000    
 C   0.6676000      0.5792000       1.098500    
 C    4.070000       1.293000     -0.3689000    
 C    4.892600     -0.6470000     -6.8400003E-02
 H   -3.220000     -0.5410000      -1.527700    
 H   -1.654700     -6.6500001E-02   1.047700    
 H   -2.885300       1.860800      -1.202000    
 H  -0.7427000     -0.1676000      -1.781400    
 H   0.8970000      -1.102900     -0.2215000    
 H   -3.967400       1.498800       1.649400    
 H   -3.686900       3.039000      0.8396000    
 H   -2.324400       1.994100       1.190200    
 H   -5.152200       1.079900      -1.957300    
 H   -5.155500       2.653600      -1.152000    
 H   -5.733000       1.229500     -0.2851000    
 H    1.512100       1.691000      -1.287200    
 H    1.627100      0.1944000      -2.212300    
 H   -4.072100     -0.6358000       1.278000    
 H   -5.033900     -0.8300000     -2.9500000E-02
 H  -0.7818000      -3.393900       1.368200    
 H   -1.008200      -1.839500       2.081500    
 H    3.154800      -1.713200     -0.6784000    
 H    4.032600       2.372300     -0.3875000    
 H    5.541600      -1.479400      0.1637000    
 H   0.8369000     -2.0000001E-03   2.951400    


%chk=000131779-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131779

0 1
O -0.492263 -2.713988 -0.594548
O 1.836127 0.170466 2.072581
O 0.121688 1.692955 1.727204
N -0.697560 0.056170 -0.555784
N -4.120195 -0.865041 0.792094
N -2.458390 -3.023378 0.634226
N 3.793839 -0.635986 -0.582906
N 5.322543 0.999072 -0.273299
C -3.177985 -0.299659 -0.232562
C -1.716893 -0.699398 0.192060
C -3.367612 1.228909 -0.493283
C 0.677262 -0.012337 -0.018233
C -3.153132 2.091295 0.771540
C -4.753417 1.496668 -1.128709
C 1.636677 0.647342 -1.068506
C -1.496813 -2.249842 0.038667
C 3.097823 0.573865 -0.740273
C 0.796845 0.724910 1.315097
C 4.065744 1.565505 -0.549403
C 5.121032 -0.332770 -0.296656
H -3.411219 -0.827655 -1.181671
H -1.610374 -0.440443 1.264493
H -2.582736 1.516014 -1.218928
H -0.680304 -0.254654 -1.538537
H 1.008837 -1.058119 0.152834
H -3.883787 1.846131 1.569554
H -3.300153 3.159584 0.527331
H -2.129286 1.982618 1.167383
H -4.909619 0.893173 -2.044055
H -4.849396 2.561428 -1.408372
H -5.578306 1.271366 -0.423535
H 1.342676 1.703575 -1.195198
H 1.432819 0.135915 -2.033044
H -4.080140 -0.328296 1.670761
H -5.088774 -0.889010 0.447407
H -2.389725 -4.039888 0.569357
H -3.314636 -2.510252 0.953148
H 3.377670 -1.566596 -0.618234
H 3.934757 2.644779 -0.595274
H 5.881211 -1.089865 -0.119584
H 1.979266 0.717136 2.892559


