%chk=000178294.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178294

0 1
 O   -2.944200     -0.8269000      -2.175000    
 O  -0.5324000       3.637600      0.3732000    
 N  -8.2099997E-02   1.519300     -0.4602000    
 N    1.655500       3.142100     -0.1862000    
 N   -2.909300     -0.3884000       3.370100    
 C    3.576900      -2.792500      3.2699998E-02
 C    2.615400      -1.659500     -9.6900001E-02
 C   -1.422600       1.291800      -1.010400    
 C   0.8493000      0.4220000     -0.3347000    
 C   -2.204300      0.3028000     -0.1948000    
 C    1.661000      -1.667600      -1.114000    
 C    2.670900     -0.5919000      0.7992000    
 C   0.7620000     -0.6079000      -1.235000    
 C    1.771800      0.4675000      0.6781000    
 C    3.425900      -3.542600       1.369600    
 C    5.039700      -2.347700     -0.1545000    
 C   0.2910000       2.819500     -5.4299999E-02
 C   -2.926200     -0.7093000     -0.8177000    
 C   -2.195400      0.4158000       1.191500    
 C   -2.917200     -0.4942000       1.963700    
 C   -3.648100      -1.619400     -4.5400001E-02
 C   -3.643700      -1.511800       1.345400    
 C    2.314000       4.103500      0.6872000    
 C    2.504700       2.534100      -1.209100    
 C   -3.712700      -1.896200      -2.722500    
 H    3.370700      -3.524900     -0.7598000    
 H   -1.980100       2.236700      -1.021600    
 H   -1.315700       1.006900      -2.062000    
 H    1.607600      -2.488900      -1.823700    
 H    3.396400     -0.5725000       1.607800    
 H   5.2499998E-02 -0.6386000      -2.053000    
 H    1.799700       1.241500       1.437600    
 H    3.689500      -2.912000       2.225500    
 H    4.077500      -4.422900       1.391200    
 H    2.394300      -3.884300       1.509600    
 H    5.169400      -1.830700      -1.111800    
 H    5.708600      -3.215100     -0.1473000    
 H    5.366100      -1.668400      0.6404000    
 H   -1.644600       1.212700       1.684800    
 H   -4.234600      -2.434400     -0.4550000    
 H   -4.209300      -2.227100       1.937300    
 H    2.643900       4.957500      8.9100003E-02
 H    3.176900       3.624800       1.159000    
 H    1.627200       4.450200       1.463900    
 H    1.943900       1.979800      -1.963900    
 H    3.300600       1.937800     -0.7573000    
 H    2.993100       3.354900      -1.748200    
 H   -3.437100      -1.044700       3.930000    
 H   -2.387000      0.3520000       3.819200    
 H   -4.778600      -1.785300      -2.495800    
 H   -3.320000      -2.872600      -2.418800    
 H   -3.612600      -1.839400      -3.811600    


%chk=000178294-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178294

0 1
O -2.544103 -0.997468 -2.068214
O -0.588431 3.414270 0.786476
N 0.045323 1.532090 -0.484416
N 1.588930 3.319105 -0.048226
N -3.363048 0.103984 3.431953
C 3.575938 -3.113122 -0.149596
C 2.657440 -1.891632 -0.233573
C -1.358051 1.333769 -0.963526
C 0.923354 0.402449 -0.403287
C -2.188064 0.376520 -0.115125
C 1.614253 -1.820762 -1.187796
C 2.799436 -0.791320 0.651834
C 0.757479 -0.702821 -1.279786
C 1.950291 0.328937 0.580072
C 3.441620 -3.838682 1.216262
C 5.056587 -2.739460 -0.429093
C 0.313404 2.786550 0.135459
C -2.786298 -0.781938 -0.684021
C -2.392747 0.656615 1.250537
C -3.174502 -0.196698 2.077001
C -3.566888 -1.640317 0.123315
C -3.758790 -1.352208 1.491437
C 1.982311 4.488650 0.753323
C 2.517400 2.921188 -1.116828
C -3.163206 -2.172286 -2.674352
H 3.255906 -3.823846 -0.938774
H -1.822310 2.333906 -0.942260
H -1.337045 0.989426 -2.010289
H 1.461735 -2.661279 -1.877166
H 3.576429 -0.811904 1.426211
H -0.051922 -0.712004 -2.015847
H 2.070431 1.146349 1.298605
H 3.764437 -3.182698 2.046331
H 4.071034 -4.748253 1.240849
H 2.394412 -4.133315 1.408590
H 5.166310 -2.258317 -1.417772
H 5.699223 -3.639680 -0.406442
H 5.436958 -2.034311 0.333690
H -1.935089 1.566918 1.658824
H -4.032043 -2.538396 -0.294553
H -4.366894 -2.028545 2.104926
H 2.042295 5.398693 0.123849
H 2.971715 4.318764 1.220418
H 1.223402 4.656785 1.531491
H 1.991752 2.324738 -1.877406
H 3.362620 2.318430 -0.731609
H 2.922134 3.831813 -1.598651
H -3.928490 -0.493548 4.026165
H -2.945186 0.935294 3.837759
H -4.268174 -2.130311 -2.600035
H -2.800840 -3.110234 -2.207712
H -2.864232 -2.146787 -3.733420


