%chk=000122132.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122132

0 1
 O    3.699000       1.802800     -5.8200002E-02
 O    4.216700     -0.9144000      0.2063000    
 N   -3.515800      0.4266000     -0.2095000    
 C   -2.185700     -3.5799999E-02  0.1839000    
 C   -1.901100      -1.405100     -0.4358000    
 C   -1.116100      0.9725000     -0.2584000    
 C  -0.5598000      -1.944800      6.1500002E-02
 C   0.2911000      0.4471000     -0.1068000    
 C   0.5544000     -0.9305000      2.0999999E-03
 C    1.362400       1.352900     -0.1357000    
 C    1.881800      -1.370800      0.1168000    
 C   -3.812000       1.718300      0.4092000    
 C   -4.529900     -0.5610000      0.1587000    
 C    2.677700      0.9016000     -3.1300001E-02
 C    2.937100     -0.4594000      9.7300000E-02
 H   -2.134000     -0.1404000       1.278500    
 H   -1.885700      -1.328800      -1.531500    
 H   -2.642700      -2.165800     -0.1745000    
 H   -1.188900       1.887200      0.3420000    
 H   -1.258000       1.245100      -1.312700    
 H  -0.2926000      -2.825200     -0.5356000    
 H  -0.6648000      -2.271600       1.103900    
 H    1.160900       2.416900     -0.2417000    
 H    2.092900      -2.432900      0.2220000    
 H   -3.200800       2.523500     -9.8000001E-03
 H   -3.685800       1.700000       1.497900    
 H   -4.846800       2.015300      0.1995000    
 H   -4.437000     -0.8963000       1.198200    
 H   -4.521300      -1.426600     -0.5107000    
 H   -5.536100     -0.1393000      4.0700000E-02
 H    3.330300       2.697800     -0.1525000    
 H    4.817100     -0.1493000      0.1747000    


%chk=000122132-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122132

0 1
O 3.841877 1.768902 -0.050802
O 4.329548 -0.889989 0.106203
N -3.575504 0.400101 -0.174360
C -2.216839 -0.084255 0.222143
C -1.870207 -1.433952 -0.451332
C -1.135813 0.951798 -0.175018
C -0.526825 -1.982453 0.073118
C 0.296414 0.431658 -0.073887
C 0.594886 -0.953985 0.015258
C 1.366131 1.366257 -0.094240
C 1.945658 -1.381983 0.075728
C -3.887565 1.753246 0.343532
C -4.657530 -0.542711 0.192797
C 2.698442 0.930057 -0.035260
C 2.998813 -0.454809 0.050473
H -2.172102 -0.235574 1.336800
H -1.825996 -1.274355 -1.546383
H -2.653957 -2.186910 -0.257996
H -1.223305 1.859788 0.450350
H -1.351269 1.261384 -1.219614
H -0.240527 -2.882998 -0.503033
H -0.659251 -2.319030 1.123314
H 1.143565 2.440546 -0.159301
H 2.192666 -2.447071 0.141154
H -3.204386 2.504322 -0.084436
H -3.832318 1.825280 1.460555
H -4.912384 2.027329 0.036262
H -4.692931 -0.768553 1.289791
H -4.553511 -1.494935 -0.351306
H -5.629027 -0.103767 -0.095278
H 3.595928 2.721166 -0.127496
H 4.923817 -0.094904 0.070765


