%chk=000118065.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118065

0 1
 O   0.7317000       2.515600     -0.3899000    
 N    1.903000     -0.5198000      -1.257700    
 N    1.756200      0.2531000      0.9963000    
 C    2.944700      -1.911900      0.4532000    
 C    2.962800      -1.475000      -1.023800    
 C    2.865400     -0.6519000       1.344200    
 C    1.754000      -2.850000      0.7336000    
 C    4.242600      -2.675400      0.7695000    
 C    1.392500      0.2620000     -0.2453000    
 C   0.2733000       1.200100     -0.6295000    
 C  -0.9659000      0.9091000      0.1667000    
 C   -1.934400     -3.1000001E-03 -0.2769000    
 C   -1.119100       1.585800       1.375100    
 C   -3.080300     -0.2342000      0.5206000    
 C    1.907600       2.810900      -1.136900    
 C   -1.793100     -0.6924000      -1.492400    
 C   -2.246100       1.358700       2.159300    
 C   -3.221200      0.4548000       1.736300    
 C   -4.051800      -1.147200      7.8800000E-02
 C   -2.768200      -1.595900      -1.915900    
 C   -3.895400      -1.822700      -1.131800    
 C    2.341300       4.229200     -0.8336000    
 H    3.917500     -0.9960000      -1.271500    
 H    2.844400      -2.333600      -1.694000    
 H    2.745500     -0.9468000       2.393600    
 H    3.799500     -7.9000004E-02   1.285200    
 H    1.747000      -3.171500       1.781300    
 H   0.7902000      -2.371500      0.5320000    
 H    1.809700      -3.750200      0.1111000    
 H    5.125300      -2.050800      0.5920000    
 H    4.267900      -2.995100       1.817400    
 H    4.337200      -3.569900      0.1434000    
 H    1.562400     -0.4241000      -2.209800    
 H   6.1999999E-02   1.149300      -1.701600    
 H  -0.3753000       2.287000       1.743300    
 H    2.740600       2.153400     -0.8704000    
 H    1.701900       2.712200      -2.208800    
 H  -0.9341000     -0.5725000      -2.143800    
 H   -2.366200       1.882600       3.103200    
 H   -4.093500      0.2925000       2.365900    
 H   -4.940700      -1.340400      0.6756000    
 H   -2.646100      -2.125100      -2.856500    
 H   -4.653700      -2.526900      -1.461600    
 H    3.240100       4.493500      -1.397800    
 H    1.545500       4.937800      -1.085700    
 H    2.547000       4.349000      0.2354000    


%chk=000118065-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118065

0 1
O 0.783689 2.627419 -0.344481
N 2.042021 -0.387630 -1.251499
N 1.614515 -0.039303 1.094880
C 2.960332 -2.091011 0.305341
C 3.158974 -1.321293 -1.033641
C 2.676212 -1.031127 1.414868
C 1.760517 -3.064735 0.185319
C 4.252676 -2.868291 0.637627
C 1.383763 0.210893 -0.169959
C 0.312566 1.252511 -0.566359
C -0.993422 1.080611 0.202487
C -1.899057 0.004110 -0.123969
C -1.313757 1.970142 1.231115
C -3.142100 -0.114378 0.616933
C 2.010520 2.964321 -1.080153
C -1.630901 -0.968238 -1.147975
C -2.534336 1.844154 1.962030
C -3.435882 0.824214 1.659767
C -4.056321 -1.172018 0.295243
C -2.540610 -1.988333 -1.438533
C -3.768735 -2.092767 -0.713586
C 2.260174 4.458429 -0.875185
H 4.128002 -0.776964 -1.001000
H 3.207509 -2.037798 -1.875621
H 2.376261 -1.547144 2.346694
H 3.612934 -0.481068 1.649984
H 1.628109 -3.630282 1.126174
H 0.818397 -2.525529 -0.015188
H 1.923266 -3.795613 -0.630134
H 5.124723 -2.190613 0.713507
H 4.150448 -3.397185 1.603454
H 4.473947 -3.626968 -0.137578
H 1.817386 -0.085621 -2.199504
H 0.115815 1.131153 -1.660575
H -0.611168 2.773831 1.461558
H 2.861937 2.363108 -0.697587
H 1.876754 2.727221 -2.161632
H -0.690583 -0.921471 -1.707382
H -2.755703 2.558093 2.763034
H -4.376457 0.723769 2.214845
H -4.992029 -1.245731 0.863011
H -2.312818 -2.717144 -2.224729
H -4.475010 -2.896230 -0.950087
H 3.181918 4.771047 -1.399342
H 1.414198 5.050872 -1.263731
H 2.375026 4.682290 0.199359


