%chk=000115654.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115654

0 1
 O   -1.620900       1.094000     -0.8033000    
 N  -0.5635000     -0.7642000      0.1055000    
 N   -6.640100      0.4162000      0.1896000    
 C    1.452200      0.4110000      0.9397000    
 C   0.7884000     -0.3852000     -0.2197000    
 C    2.286100     -0.6115000       1.757700    
 C    1.679700      -1.585500     -0.3408000    
 C    2.522500      -1.709400      0.7680000    
 C    2.248400       1.596200      0.4064000    
 C    1.717500      -2.513500      -1.370200    
 C    3.411700      -2.766300      0.8760000    
 C   -1.669100      1.6000001E-02 -0.2171000    
 C    1.625800       2.831900      0.2300000    
 C    3.599900       1.445500      9.5200002E-02
 C    2.618200      -3.576300      -1.275000    
 C    3.459100      -3.702200     -0.1590000    
 C   -2.964500     -0.6114000      0.2710000    
 C   -4.210200      0.2103000     -6.0199998E-02
 C    2.354300       3.916800     -0.2578000    
 C    4.328300       2.530500     -0.3925000    
 C   -5.484300     -0.4128000      0.5131000    
 C    3.705500       3.766200     -0.5690000    
 C   -6.786900      0.5520000      -1.260400    
 C   -7.858100     -0.1484000      0.7729000    
 H   0.6942000      0.8328000       1.615300    
 H   0.7845000      0.1852000      -1.156400    
 H    3.209100     -0.2064000       2.181300    
 H    1.677100      -1.014800       2.576000    
 H  -0.7101000      -1.624500      0.6270000    
 H    1.063800      -2.422200      -2.231100    
 H    4.058700      -2.868700       1.740600    
 H   0.5731000       2.961600      0.4666000    
 H    4.120500      0.4997000      0.2000000    
 H    2.666600      -4.315300      -2.070100    
 H    4.150900      -4.538000     -9.9399999E-02
 H   -3.049800      -1.609500     -0.1756000    
 H   -2.885100     -0.7382000       1.357700    
 H   -4.088400       1.230900      0.3253000    
 H   -4.250200      0.2842000      -1.152400    
 H    1.869200       4.878600     -0.3961000    
 H    5.379500       2.412700     -0.6390000    
 H   -5.604300      -1.434700      0.1298000    
 H   -5.376600     -0.4850000       1.602600    
 H    4.272500       4.610500     -0.9500000    
 H   -6.029700       1.215900      -1.688200    
 H   -6.760100     -0.4137000      -1.778200    
 H   -7.744300       1.029800      -1.502900    
 H   -8.716600      0.5048000      0.5810000    
 H   -8.084800      -1.143800      0.3739000    
 H   -7.763200     -0.2264000       1.861800    


%chk=000115654-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115654

0 1
O -1.495348 0.944283 -1.168354
N -0.569901 -1.031238 -0.381535
N -6.481431 0.180646 0.723437
C 1.175877 0.499485 0.684688
C 0.822579 -0.529044 -0.470642
C 1.796049 -0.386815 1.810230
C 1.803957 -1.669419 -0.237502
C 2.352744 -1.594744 1.068351
C 2.092267 1.599903 0.141783
C 2.159657 -2.713689 -1.115078
C 3.270078 -2.570845 1.508616
C -1.648297 -0.250492 -0.756360
C 1.499594 2.660213 -0.597086
C 3.501460 1.587007 0.295557
C 3.083515 -3.692757 -0.674187
C 3.633787 -3.620513 0.629115
C -3.025145 -0.915205 -0.661203
C -4.058046 -0.000591 0.038961
C 2.293405 3.689689 -1.146678
C 4.298572 2.616570 -0.257442
C -5.486358 -0.569118 -0.078642
C 3.698375 3.674201 -0.976753
C -6.687126 1.566374 0.253465
C -7.760102 -0.550868 0.835681
H 0.238882 0.974731 1.021268
H 0.929183 -0.038450 -1.454511
H 2.557758 0.149362 2.403202
H 1.009884 -0.706834 2.522842
H -0.722714 -1.979837 -0.033292
H 1.740523 -2.762569 -2.126783
H 3.702090 -2.520173 2.514913
H 0.412799 2.657258 -0.746475
H 3.989479 0.770868 0.840121
H 3.381118 -4.505936 -1.345577
H 4.351554 -4.381489 0.956350
H -3.367012 -1.113682 -1.697777
H -2.961620 -1.895479 -0.148661
H -3.808627 0.111345 1.111189
H -3.984729 1.000300 -0.422619
H 1.817680 4.502389 -1.707714
H 5.386835 2.590516 -0.127689
H -5.773681 -0.609983 -1.165407
H -5.488440 -1.614472 0.290238
H 4.315872 4.473834 -1.401688
H -5.743419 2.134006 0.303193
H -7.070725 1.619756 -0.798345
H -7.418229 2.070659 0.910255
H -8.442870 -0.004325 1.510896
H -8.284891 -0.687921 -0.145328
H -7.580365 -1.551507 1.268578


