%chk=000085361.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085361

0 1
 O    5.496100      0.4582000      0.1310000    
 O   -2.395300      -4.946500      0.2053000    
 O   -3.137300       4.507700      0.2818000    
 N    2.706400      0.2130000     -0.1063000    
 N   -1.169700      -2.432100     -6.8300001E-02
 N   -1.534800       2.220200     -3.1900000E-02
 N   0.7750000      -1.142200     -8.6800002E-02
 N   0.5873000       1.249900     -6.8099998E-02
 N   -1.390300     -0.1090000     -4.8400000E-02
 C    3.495000     -0.8554000      0.5226000    
 C    3.336300       1.537800     -0.1045000    
 C  -0.4470000      -3.546200      0.5606000    
 C   -2.632100      -2.544800     -4.6000000E-02
 C  -0.9934000       3.423200      0.6153000    
 C   -2.996900       2.103200     -9.3000000E-03
 C    1.312200      0.1034000     -8.6300001E-02
 C  -0.5673000      -1.169800     -6.7599997E-02
 C  -0.7430000       1.067400     -5.0200000E-02
 C    4.917100     -0.8370000     -2.6600000E-02
 C    4.767100       1.428700     -0.6196000    
 C  -0.9809000      -4.871200      2.8300000E-02
 C   -3.050200      -3.923900     -0.5442000    
 C   -1.728700       4.657400      0.1051000    
 C   -3.625500       3.408000     -0.4858000    
 H    3.073300      -1.849300      0.3363000    
 H    3.509800     -0.6887000       1.606600    
 H    3.334800       1.929900      0.9198000    
 H    2.795300       2.243400     -0.7455000    
 H  -0.5949000      -3.491800       1.646100    
 H   0.6298000      -3.513400      0.3614000    
 H   -3.107100      -1.793900     -0.6880000    
 H   -2.984200      -2.394600      0.9819000    
 H   7.4900001E-02   3.562100      0.4157000    
 H   -1.128400       3.328700       1.699800    
 H   -3.319700       1.883500       1.015500    
 H   -3.349900       1.297900     -0.6638000    
 H    5.538500      -1.552100      0.5219000    
 H    4.940500      -1.120300      -1.085900    
 H    4.789800       1.159200      -1.682500    
 H    5.277300       2.391000     -0.5110000    
 H  -0.7389000      -5.002500      -1.033400    
 H  -0.5286000      -5.703500      0.5770000    
 H   -4.129900      -4.054200     -0.4196000    
 H   -2.821500      -4.050200      -1.609500    
 H   -1.411300       5.540600      0.6683000    
 H   -1.511900       4.842900     -0.9539000    
 H   -3.420200       3.586000      -1.548500    
 H   -4.712100       3.366300     -0.3607000    


%chk=000085361-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085361

0 1
O 5.385445 0.383663 -0.449767
O -2.292796 -4.861573 -0.596253
O -3.023680 4.439295 -0.699118
N 2.697347 0.216728 0.536373
N -1.184681 -2.443611 0.476300
N -1.546658 2.249907 0.420775
N 0.783425 -1.153142 0.512386
N 0.596896 1.278435 0.468357
N -1.415635 -0.100551 0.438791
C 3.581502 -0.960312 0.615819
C 3.396762 1.514747 0.532840
C -0.406332 -3.694585 0.533001
C -2.647300 -2.627302 0.443913
C -0.971907 3.607611 0.439051
C -3.020225 2.205707 0.401894
C 1.320766 0.111316 0.504951
C -0.589313 -1.197497 0.475720
C -0.766601 1.110671 0.442184
C 4.638765 -0.887182 -0.503267
C 4.457880 1.522136 -0.585865
C -0.837903 -4.621687 -0.620295
C -3.019317 -3.582794 -0.707480
C -1.549145 4.425611 -0.732967
C -3.544603 3.060918 -0.768682
H 2.960144 -1.864927 0.525890
H 4.091275 -0.968953 1.601402
H 3.896070 1.665530 1.512224
H 2.648757 2.309703 0.387323
H -0.596728 -4.201129 1.501718
H 0.662555 -3.438422 0.467192
H -3.116596 -1.639192 0.317419
H -2.983346 -3.065641 1.406252
H 0.123560 3.519708 0.370554
H -1.234828 4.103314 1.396303
H -3.410832 2.612887 1.357283
H -3.333109 1.154256 0.306726
H 5.398475 -1.677217 -0.384065
H 4.145349 -0.990079 -1.494239
H 3.957923 1.481103 -1.578049
H 5.090707 2.423030 -0.526931
H -0.548656 -4.169840 -1.594120
H -0.375988 -5.618000 -0.522838
H -4.088277 -3.850291 -0.671473
H -2.786938 -3.103785 -1.683541
H -1.245821 5.483461 -0.666448
H -1.200946 3.996599 -1.697701
H -3.248198 2.597211 -1.734637
H -4.641743 3.161165 -0.726801


