%chk=000103679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103679

0 1
 O    1.306500     -0.2568000      0.7574000    
 O   0.5902000     -0.1761000      -1.466700    
 O   -2.778400      0.9319000     -0.7128000    
 N    4.767300     -0.6899000     -0.4488000    
 C   0.1426000     -9.0300001E-02 -9.2399999E-02
 C    2.353400     -0.7215000     -0.1003000    
 C    2.013700     -9.4800003E-02  -1.424800    
 C  -0.8254000      -1.246300      0.1694000    
 C  -0.4521000       1.310900      0.1267000    
 C    3.706500     -0.3174000      0.4448000    
 C   -2.035600      -1.327400     -0.5443000    
 C   -1.772900       1.698100     -0.1835000    
 C   -2.426700     -0.2164000      -1.470700    
 C  -0.5347000      -2.268200       1.093000    
 C   0.3979000       2.316600      0.6500000    
 C   -2.911700      -2.405300     -0.3381000    
 C   -2.211900       3.009000      8.7499999E-02
 C   -1.410300      -3.338200       1.291300    
 C  -4.3299999E-02   3.618700      0.8970000    
 C   -2.597000      -3.409100      0.5729000    
 C   -1.355200       3.964000      0.6224000    
 C    6.077100     -0.2916000      7.0100002E-02
 H    2.269400      -1.814100     -0.1612000    
 H    2.294500      0.9630000      -1.477600    
 H    2.445700     -0.6208000      -2.280300    
 H    3.839800     -0.7824000       1.430300    
 H    3.712900      0.7659000      0.6235000    
 H   -1.670300      1.1300000E-02  -2.228800    
 H   -3.319500     -0.5021000      -2.039900    
 H   0.3824000      -2.257200       1.676000    
 H    1.439500       2.103000      0.8795000    
 H   -3.852300      -2.461900     -0.8804000    
 H    4.759400      -1.698000     -0.6010000    
 H   -3.239000       3.294300     -0.1336000    
 H   -1.161400      -4.115800       2.007600    
 H   0.6419000       4.355800       1.305000    
 H   -3.280000      -4.238900      0.7274000    
 H   -1.710200       4.971400      0.8157000    
 H    6.135900      0.7938000      0.2006000    
 H    6.853300     -0.5816000     -0.6447000    
 H    6.293900     -0.7821000       1.024400    


%chk=000103679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103679

0 1
O 1.322878 -0.558036 0.714758
O 0.553512 -0.452174 -1.517912
O -2.561159 1.031376 -1.136946
N 4.893688 -0.554683 -0.447816
C 0.113044 -0.290513 -0.086894
C 2.466827 -0.821970 -0.202162
C 2.006319 -0.182377 -1.521708
C -0.953903 -1.347075 0.194676
C -0.371755 1.147995 0.169731
C 3.737236 -0.224601 0.411510
C -2.144516 -1.361087 -0.583820
C -1.596221 1.680151 -0.348663
C -2.333206 -0.337316 -1.678448
C -0.783161 -2.284230 1.235724
C 0.428204 2.006968 0.970249
C -3.138136 -2.328129 -0.311874
C -1.962859 3.022546 -0.065291
C -1.781446 -3.250717 1.496849
C 0.065944 3.338673 1.247423
C -2.961126 -3.277360 0.720576
C -1.143526 3.849923 0.720452
C 6.146051 0.138080 -0.086125
H 2.566759 -1.921612 -0.321185
H 2.208692 0.906613 -1.529711
H 2.420773 -0.655623 -2.422277
H 3.839552 -0.581849 1.465182
H 3.635634 0.876803 0.451745
H -1.462796 -0.303829 -2.355663
H -3.252427 -0.530295 -2.253111
H 0.133426 -2.245428 1.830340
H 1.340805 1.585049 1.399078
H -4.056172 -2.335364 -0.911500
H 5.027746 -1.572266 -0.523648
H -2.906935 3.384319 -0.484520
H -1.638804 -3.976846 2.304968
H 0.710758 3.964505 1.873159
H -3.737449 -4.024284 0.919998
H -1.448850 4.882504 0.923015
H 6.017729 1.227196 -0.224670
H 6.956875 -0.190190 -0.759770
H 6.477894 -0.031348 0.966879


