%chk=000088959.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088959

0 1
 O   0.3573000      0.6433000       1.912100    
 O   -1.067200       1.478000      -2.374500    
 N   -3.051200       1.122500      7.7000000E-03
 N  -0.6830000       1.205100     -8.6199999E-02
 N   -5.492300     -0.3576000      0.4651000    
 N   0.8223000      0.4208000      -1.520400    
 C    1.409600      5.9300002E-02 -0.2326000    
 C   -1.863800       1.846900      0.4566000    
 C   -3.022600     -0.2679000      0.4782000    
 C   -4.274700       1.792600      0.4648000    
 C   -4.268100      -1.028100      9.8999999E-03
 C   -5.520200       1.032900     -4.6000001E-03
 C   0.3177000      0.6562000      0.6864000    
 C  -0.3989000       1.084700      -1.427300    
 C    2.735600      0.7745000      5.3900000E-02
 C    1.522000      -1.467600     -0.1755000    
 C   -6.679100      -1.081800      1.4300000E-02
 C    3.382500      0.5884000       1.277800    
 C    2.392500      -2.139300      -1.036800    
 C    3.301500       1.614800     -0.9077000    
 C   0.7542000      -2.193800      0.7379000    
 C    4.588500       1.238900       1.538600    
 C    2.495000      -3.529400     -0.9850000    
 C    4.507500       2.265300     -0.6469000    
 C   0.8567000      -3.583900      0.7896000    
 C    5.151100       2.077300      0.5762000    
 C    1.727000      -4.251900     -7.1699999E-02
 H   -1.880900       2.865800      5.2499998E-02
 H   -1.799000       1.903500       1.549400    
 H   -2.954600     -0.3100000       1.574000    
 H   -2.158200     -0.8077000      7.6700002E-02
 H   -4.315900       2.808800      5.4400001E-02
 H   -4.287100       1.881600       1.559700    
 H   -4.255000      -1.119000      -1.084900    
 H   -4.227600      -2.043700      0.4222000    
 H   -6.405500       1.541700      0.3959000    
 H   -5.586800       1.075100      -1.100300    
 H    1.251700      0.1976000      -2.413700    
 H   -6.676100      -2.105500      0.4047000    
 H   -6.745700      -1.129800      -1.078700    
 H   -7.588600     -0.6034000      0.3943000    
 H    2.965300     -6.4800002E-02   2.039400    
 H    2.997200      -1.593900      -1.756500    
 H    2.836100       1.789600      -1.872600    
 H   5.4699998E-02  -1.727500       1.421800    
 H    5.090400       1.091500       2.490400    
 H    3.172100      -4.049600      -1.656200    
 H    4.946200       2.918000      -1.396100    
 H   0.2570000      -4.147300       1.498600    
 H    6.090400       2.583400      0.7792000    
 H    1.806100      -5.334400     -3.2000002E-02


%chk=000088959-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088959

0 1
O 0.139702 0.591394 1.778547
O -0.900740 2.229829 -2.501696
N -2.928104 1.179876 0.384338
N -0.602149 1.645222 -0.201744
N -5.219613 -0.522077 0.658823
N 0.921544 0.924302 -1.694926
C 1.344894 0.283759 -0.425300
C -1.889255 2.193596 0.308820
C -3.386172 0.766510 1.727324
C -4.016559 1.235877 -0.613995
C -4.103968 -0.591073 1.632510
C -4.724950 -0.128801 -0.681781
C 0.245918 0.837904 0.553454
C -0.249928 1.659737 -1.591334
C 2.723003 0.763537 0.063801
C 1.225734 -1.254322 -0.558026
C -6.016550 -1.761993 0.624293
C 3.246273 0.242098 1.275523
C 2.361450 -2.046366 -0.855301
C 3.455109 1.749222 -0.638665
C -0.050116 -1.873259 -0.490905
C 4.490038 0.692875 1.764409
C 2.226994 -3.435445 -1.077518
C 4.705374 2.195002 -0.150576
C -0.181599 -3.261096 -0.706839
C 5.228278 1.666924 1.050665
C 0.956060 -4.048023 -1.002758
H -2.157373 3.009496 -0.387094
H -1.671483 2.617083 1.305721
H -4.093031 1.510111 2.168148
H -2.506318 0.673582 2.387917
H -3.587324 1.482571 -1.601652
H -4.772875 2.014353 -0.352306
H -3.352728 -1.371831 1.340828
H -4.513237 -0.863261 2.623462
H -5.585552 -0.065848 -1.373881
H -4.003828 -0.884771 -1.090932
H 1.290729 0.646530 -2.603109
H -6.416955 -1.975352 1.631756
H -5.432240 -2.656881 0.288226
H -6.871700 -1.635449 -0.063916
H 2.670054 -0.499922 1.837804
H 3.352113 -1.581666 -0.903742
H 3.042389 2.177401 -1.557924
H -0.943190 -1.276071 -0.266331
H 4.882007 0.287292 2.703717
H 3.113593 -4.037155 -1.306371
H 5.264588 2.956380 -0.705776
H -1.170245 -3.729389 -0.644214
H 6.195635 2.013643 1.431063
H 0.852404 -5.125855 -1.170435


