%chk=000071426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071426

0 1
 O    1.186500      -1.843400      0.7680000    
 O   -4.935400      -1.136700     -0.6505000    
 N    1.784000      0.8737000     -0.7634000    
 C  -0.9266000       1.689600      4.5600001E-02
 C   0.2768000       1.651100       1.030100    
 C    1.246800      0.5504000      0.5703000    
 C    3.928200     -0.1501000     -0.1339000    
 C  -0.3567000       1.991600      -1.369300    
 C    2.856300     -1.6100001E-02  -1.195700    
 C   0.7639000       1.035800      -1.801900    
 C    5.092500      -1.027600     -0.4190000    
 C    4.052600      -1.448100      0.5779000    
 C   -1.624100      0.3234000      1.5600000E-02
 C   0.5584000     -0.8069000      0.5662000    
 C   -1.876900       2.843500      0.4360000    
 C  -0.1042000       1.493100       2.511700    
 C  -0.9019000     -0.8602000      0.2760000    
 C   -2.986700      0.1994000     -0.3080000    
 C   -1.532600      -2.111700      0.2442000    
 C   -3.612900      -1.049000     -0.3400000    
 C   -2.888000      -2.201800     -5.9700001E-02
 H   0.8091000       2.612800      0.9654000    
 H    2.042500      0.5166000       1.323000    
 H    4.157800      0.7761000      0.3793000    
 H   4.3699998E-02   3.015100      -1.383100    
 H   -1.155700       1.963500      -2.121800    
 H    2.470200      -1.000300      -1.490600    
 H    3.333100      0.4144000      -2.085400    
 H   0.3373000      6.8700001E-02  -2.094800    
 H    1.226500       1.450700      -2.706500    
 H    5.129100      -1.555500      -1.364100    
 H    6.061200     -0.7280000     -3.7900001E-02
 H    4.319000      -1.423000       1.627500    
 H    3.473000      -2.313700      0.2872000    
 H   -1.318400       3.771000      0.6086000    
 H   -2.603300       3.058800     -0.3560000    
 H   -2.441700       2.617300       1.347100    
 H  -0.6684000       2.361700       2.865600    
 H  -0.7081000      0.6019000       2.703800    
 H   0.7961000       1.424000       3.132300    
 H   -3.576900       1.080000     -0.5464000    
 H  -0.9833000      -3.027200      0.4468000    
 H   -3.370800      -3.174800     -8.4600002E-02
 H   -5.282100     -0.2432000     -0.8159000    


%chk=000071426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071426

0 1
O 1.092774 -2.024813 0.724182
O -5.095596 -1.042210 -0.726235
N 1.753472 0.731316 -0.753664
C -0.928883 1.676951 0.091518
C 0.274437 1.552934 1.088907
C 1.202610 0.418215 0.606156
C 4.119493 -0.011371 -0.357257
C -0.314360 1.998818 -1.316854
C 2.863585 -0.150934 -1.206584
C 0.716618 0.959709 -1.793846
C 5.203730 -1.096603 -0.457462
C 4.380587 -0.956203 0.830724
C -1.679998 0.335291 0.009887
C 0.461742 -0.929243 0.557299
C -1.848979 2.855642 0.494926
C -0.138063 1.350097 2.563550
C -0.983271 -0.901253 0.203457
C -3.057761 0.284857 -0.301368
C -1.679413 -2.136391 0.080812
C -3.730405 -0.954632 -0.421205
C -3.043634 -2.178758 -0.231010
H 0.855947 2.494539 1.010771
H 2.063130 0.310806 1.286790
H 4.467655 1.023171 -0.252471
H 0.177468 2.989412 -1.245912
H -1.125438 2.076235 -2.067011
H 2.563267 -1.226057 -1.241175
H 3.096860 0.153793 -2.246733
H 0.195505 0.021358 -2.100770
H 1.228987 1.345612 -2.695665
H 5.000108 -1.962270 -1.096812
H 6.251810 -0.783502 -0.446239
H 4.878569 -0.548298 1.716235
H 3.617149 -1.712879 1.037466
H -1.234028 3.751791 0.698735
H -2.551000 3.122836 -0.317043
H -2.440093 2.632453 1.400296
H -0.698530 2.220828 2.946673
H -0.769640 0.453585 2.699638
H 0.759130 1.226521 3.198088
H -3.619469 1.215639 -0.447506
H -1.108400 -3.056771 0.241872
H -3.591900 -3.119710 -0.329155
H -5.495872 -0.143610 -0.836304


