%chk=000158892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158892

0 1
 O    1.086200     -0.8373000      0.1705000    
 O    3.224600      -1.677500     -3.3500001E-02
 O   -3.738100      8.1600003E-02 -0.5173000    
 N    1.236200      -3.283100      -2.185500    
 C    3.545300       1.156400      -1.165100    
 C    2.860700      0.7254000      0.1616000    
 C    3.671400      0.8595000       1.444500    
 C    2.620900      0.9270000      -2.370600    
 C    3.947000       2.637200      -1.137900    
 C    2.446400     -0.7399000      9.1899998E-02
 C    2.867700       1.096600       2.695800    
 C   0.5579000      -2.165100      9.6500002E-02
 C    5.010400      0.7691000       1.507600    
 C  -0.9413000      -2.114300      0.2777000    
 C   -1.646400      -1.026400     -0.2101000    
 C   -1.581100      -3.157000      0.9272000    
 C   -3.030600     -0.9799000     -4.3400001E-02
 C   -2.965000      -3.110600       1.094000    
 C   -3.689800      -2.022200      0.6086000    
 C   0.9352000      -2.789400      -1.179400    
 C   -3.235100       1.349400     -0.2772000    
 C   -2.764000       1.659200      0.9857000    
 C   -3.217400       2.272900      -1.306700    
 C   -2.258100       2.936400       1.227600    
 C   -2.711400       3.550100      -1.064800    
 C   -2.231700       3.881800      0.2024000    
 H    4.447100      0.5547000      -1.334700    
 H    1.957000       1.342300      0.2703000    
 H    1.672200       1.461300      -2.250300    
 H    2.398600     -0.1354000      -2.508700    
 H    3.092500       1.279700      -3.294400    
 H    3.075300       3.279100     -0.9690000    
 H    4.401300       2.932200      -2.090100    
 H    4.678600       2.849100     -0.3535000    
 H    2.300300       2.029100       2.610100    
 H    3.500100       1.174500       3.586600    
 H    2.163700      0.2746000       2.860700    
 H   0.9871000      -2.731900      0.9338000    
 H    5.617700      0.5820000      0.6298000    
 H    5.536900      0.8697000       2.451100    
 H   -1.132300     -0.2356000     -0.7499000    
 H   -1.026400      -4.010000       1.307300    
 H   -3.478400      -3.922100       1.601300    
 H   -4.767800      -1.991500      0.7416000    
 H   -2.795100      0.9488000       1.806700    
 H   -3.590000       2.015900      -2.293600    
 H   -1.889000       3.196400       2.215400    
 H   -2.690700       4.286200      -1.863100    
 H   -1.838600       4.876500      0.3910000    


%chk=000158892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158892

0 1
O 1.128273 -0.515698 -1.455049
O 2.670058 -1.905653 -0.381012
O -3.650970 -0.123971 1.100280
N -0.981921 -1.334791 -3.988710
C 4.583952 0.382785 -0.433104
C 3.032104 0.559466 -0.458011
C 2.445065 1.121580 0.860898
C 5.103165 -0.156228 -1.787191
C 5.276902 1.719013 -0.079405
C 2.321038 -0.760059 -0.739575
C 1.772397 2.475364 0.755930
C 0.236149 -1.722019 -1.650380
C 2.525814 0.422984 2.023668
C -0.724095 -1.862600 -0.477870
C -1.736093 -0.895679 -0.272680
C -0.575574 -2.947788 0.417900
C -2.584093 -1.016941 0.848359
C -1.457298 -3.071601 1.515620
C -2.462141 -2.107665 1.739171
C -0.433469 -1.496096 -2.942699
C -3.513722 1.266653 0.837635
C -2.295012 1.961941 1.017773
C -4.698266 1.945879 0.480481
C -2.272365 3.360726 0.820158
C -4.659539 3.344670 0.291655
C -3.448269 4.057461 0.456161
H 4.818022 -0.360685 0.354248
H 2.768465 1.254785 -1.277627
H 4.859143 0.542575 -2.610814
H 4.670857 -1.143472 -2.027056
H 6.202199 -0.269770 -1.759341
H 5.060361 2.491671 -0.842962
H 6.373231 1.583284 -0.045335
H 4.951765 2.100437 0.904684
H 2.478713 3.239918 0.376875
H 1.385769 2.815225 1.732801
H 0.929928 2.436044 0.037428
H 0.888671 -2.614016 -1.713620
H 2.988136 -0.569606 2.073655
H 2.121359 0.827545 2.958433
H -1.859788 -0.063996 -0.974294
H 0.225818 -3.677901 0.264179
H -1.353867 -3.914807 2.206196
H -3.149811 -2.178762 2.586956
H -1.387590 1.426999 1.315964
H -5.622987 1.374113 0.358854
H -1.332460 3.906576 0.960762
H -5.576021 3.875864 0.012719
H -3.422004 5.141744 0.305793


