%chk=000170498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170498

0 1
 O    1.314200      0.3358000      7.8999996E-03
 N   -1.401000      0.9515000      0.4374000    
 C  -0.5072000      0.6579000       1.540100    
 C   -1.247000       2.199400     -0.2833000    
 C   -2.416300      4.0399998E-02  7.9099998E-02
 C   0.6010000     -0.2724000       1.077200    
 C   -2.100200       3.279300      0.3538000    
 C   -3.280300      0.3377000     -0.9749000    
 C   -2.556700      -1.157900      0.7792000    
 C   -4.284800     -0.5632000      -1.328700    
 C   -3.561200      -2.058800      0.4252000    
 C    2.637600      4.1000000E-03 -0.1192000    
 C   -4.425200      -1.761300     -0.6287000    
 C    3.074700      -1.251500      0.2876000    
 C    3.530000      0.9268000     -0.6533000    
 C    4.421900      -1.588800      0.1588000    
 C    4.877300      0.5893000     -0.7821000    
 C    5.323200     -0.6684000     -0.3760000    
 H   -1.031800      0.2694000       2.420000    
 H  -4.4399999E-02   1.593400       1.882300    
 H  -0.2020000       2.530200     -0.2164000    
 H   -1.421600       2.115900      -1.360600    
 H   0.2098000      -1.235000      0.7334000    
 H    1.249900     -0.4454000       1.945800    
 H   -3.166400       3.037300      0.3021000    
 H   -1.842400       3.419400       1.409100    
 H   -1.946900       4.234100     -0.1594000    
 H   -3.238600       1.256800      -1.548000    
 H   -1.922700      -1.447700       1.609600    
 H   -4.960800     -0.3308000      -2.146500    
 H   -3.672300      -2.991600      0.9705000    
 H   -5.208100      -2.462200     -0.9033000    
 H    2.402400      -2.006800      0.6824000    
 H    3.186500       1.907400     -0.9703000    
 H    4.768600      -2.570300      0.4688000    
 H    5.579100       1.305700      -1.198800    
 H    6.372000     -0.9316000     -0.4778000    


%chk=000170498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170498

0 1
O 1.573634 0.684622 0.622682
N -1.448201 0.945407 0.496208
C -0.605268 0.682786 1.667201
C -1.217613 2.212589 -0.229586
C -2.437069 0.031472 0.091514
C 0.642798 -0.170420 1.379552
C -2.146812 3.363778 0.224106
C -3.331319 0.333736 -0.986041
C -2.592044 -1.240618 0.733104
C -4.314983 -0.588111 -1.394098
C -3.588442 -2.147448 0.317949
C 2.793563 0.122529 0.206174
C -4.461050 -1.838671 -0.750003
C 3.198713 -1.205837 0.488982
C 3.637918 0.985489 -0.536488
C 4.455197 -1.658818 0.022099
C 4.885757 0.518684 -0.993525
C 5.303884 -0.806941 -0.717407
H -1.194679 0.187355 2.462483
H -0.262986 1.648364 2.082622
H -0.162173 2.495027 -0.074036
H -1.328178 2.035756 -1.315786
H 0.381693 -1.066600 0.783150
H 1.120178 -0.487892 2.331322
H -3.209686 3.101856 0.080558
H -1.996621 3.589358 1.295782
H -1.933684 4.283773 -0.352118
H -3.267991 1.295399 -1.502767
H -1.930805 -1.536153 1.553378
H -4.980422 -0.319088 -2.223191
H -3.674944 -3.111230 0.834105
H -5.229538 -2.549300 -1.070510
H 2.558170 -1.885427 1.058695
H 3.298865 2.005787 -0.741668
H 4.766431 -2.686645 0.240969
H 5.533751 1.190404 -1.567658
H 6.274260 -1.166871 -1.074752


