%chk=000070857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070857

0 1
 O   -2.720700      -1.246800      0.2440000    
 O    2.724800      -1.243400      0.2412000    
 O   -3.250800      0.3741000      -1.321500    
 O    3.250000      0.3775000      -1.326100    
 N   7.9999998E-04   1.864500       1.440100    
 C   3.0000001E-04  4.9899999E-02 -0.7351000    
 C   -1.271600      0.5110000     -2.4800001E-02
 C    1.272600      0.5120000     -2.6300000E-02
 C  -7.9999998E-04  0.5594000      -2.184800    
 C   -1.225600       1.401600      0.9914000    
 C    1.227100       1.402600      0.9900000    
 C  -2.2500001E-02   2.071700      -2.229300    
 C   -2.533800     -0.1056000     -0.4624000    
 C    2.534800     -0.1030000     -0.4658000    
 C   -2.420200       1.956800       1.718700    
 C    2.422200       1.958700       1.715900    
 C   -3.916600      -1.967500     -7.1300000E-02
 C    3.921600      -1.961800     -7.4800000E-02
 C   -3.986100      -3.209100      0.7918000    
 C    3.994600      -3.202700      0.7892000    
 H   1.3000000E-03  -1.048700     -0.7444000    
 H  -0.8690000      0.1678000      -2.728600    
 H   0.8804000      0.1915000      -2.723900    
 H   1.0000000E-03   2.531100       2.203900    
 H  -0.9231000       2.497400      -1.777600    
 H   0.8552000       2.522700      -1.757600    
 H  -1.6000001E-02   2.399200      -3.275400    
 H   -2.372300       1.692700       2.780500    
 H   -3.370600       1.582600       1.327900    
 H   -2.438800       3.048900       1.635200    
 H    3.372400       1.585100       1.324000    
 H    2.375600       1.694400       2.777800    
 H    2.439900       3.050700       1.632500    
 H   -4.787800      -1.332000      0.1231000    
 H   -3.903100      -2.252200      -1.129400    
 H    3.907700      -2.247400      -1.132700    
 H    4.791800      -1.324400      0.1183000    
 H   -4.890200      -3.785200      0.5763000    
 H   -3.111800      -3.846000      0.6217000    
 H   -3.982100      -2.940900       1.853500    
 H    4.899700      -3.777100      0.5732000    
 H    3.991200      -2.933700       1.850700    
 H    3.121400      -3.841500      0.6204000    


%chk=000070857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070857

0 1
O -2.354346 -1.404643 0.146088
O 2.355535 -1.399910 0.141789
O -3.675757 0.358219 0.910824
O 3.674817 0.366608 0.901896
N -0.002663 2.643724 1.058016
C -0.001164 0.004484 -0.005949
C -1.266253 0.675307 0.544324
C 1.263738 0.677826 0.541713
C -0.002735 -0.020431 -1.574980
C -1.241872 1.993202 0.969123
C 1.237620 1.995601 0.966698
C -0.004682 1.364415 -2.254435
C -2.534265 -0.068694 0.565586
C 2.533436 -0.063323 0.560016
C -2.426358 2.826128 1.408539
C 2.421531 2.830661 1.403603
C -3.576970 -2.253913 0.171089
C 3.580299 -2.246198 0.163669
C -3.151368 -3.648671 -0.279304
C 3.157171 -3.641659 -0.286859
H 0.000210 -1.051969 0.309772
H -0.891201 -0.597318 -1.896173
H 0.886138 -0.595696 -1.897960
H -0.003323 3.620678 1.353688
H -0.899811 1.950490 -1.974313
H 0.890516 1.951707 -1.977109
H -0.006343 1.256928 -3.354893
H -2.869734 2.423588 2.335808
H -3.233674 2.795178 0.660234
H -2.128406 3.877261 1.583124
H 3.225000 2.805853 0.650840
H 2.871345 2.425413 2.326510
H 2.120956 3.879990 1.584426
H -3.990455 -2.248460 1.196353
H -4.332146 -1.805171 -0.500179
H 4.333026 -1.795100 -0.508762
H 3.995803 -2.240492 1.188117
H -4.024484 -4.326826 -0.278124
H -2.732366 -3.622632 -1.300007
H -2.386252 -4.064164 0.398808
H 4.031863 -4.317781 -0.287645
H 2.394221 -4.059356 0.392341
H 2.736303 -3.615954 -1.306802


