%chk=000116707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116707

0 1
 O   -4.411000      -1.360500      0.2559000    
 O   -7.318400      0.5480000      -1.170100    
 O   -7.330600     -0.9089000      0.4827000    
 N   -6.860600      7.2099999E-02 -0.1177000    
 C   0.7262000     -0.1524000     -0.2283000    
 C    2.051900      0.3942000      0.3092000    
 C  -0.5385000      0.5366000      0.2943000    
 C    3.280100     -0.2991000     -0.2839000    
 C   -1.866500     -5.4800000E-02 -0.1891000    
 C    4.574600      0.2801000      0.2912000    
 C   -3.094900      0.6652000      0.3811000    
 C    5.805000     -0.3849000     -0.3284000    
 C   -4.405900      2.2299999E-02 -9.4200000E-02
 C    7.099300      0.2165000      0.2218000    
 C    8.328000     -0.4250000     -0.4224000    
 C   -5.655900      0.7042000      0.4521000    
 C    9.617200      0.1463000      0.1458000    
 H   0.6665000      -1.221600      1.1600000E-02
 H   0.7315000     -8.2000002E-02  -1.323400    
 H    2.064200      0.2874000       1.401000    
 H    2.105000       1.469100      9.6000001E-02
 H  -0.5001000       1.596900      1.4100000E-02
 H  -0.5214000      0.5066000       1.391100    
 H    3.274400     -0.1808000      -1.374100    
 H    3.232000      -1.374400     -7.4400000E-02
 H   -1.898500     -1.3700000E-02  -1.284700    
 H   -1.892400      -1.115000      8.9400001E-02
 H    4.589300      0.1414000       1.379100    
 H    4.608100       1.360000      0.1022000    
 H   -3.073900       1.722400      9.1899998E-02
 H   -3.046500      0.6220000       1.476300    
 H    5.783000      -1.462400     -0.1246000    
 H    5.778400     -0.2612000      -1.418000    
 H   -4.429200      5.9700001E-02  -1.190600    
 H    7.111800       1.297600      3.6899999E-02
 H    7.135700      7.4199997E-02   1.308700    
 H    8.308100     -0.2623000      -1.506200    
 H    8.312600      -1.508600     -0.2566000    
 H   -5.731400      0.5999000       1.540200    
 H   -5.686200       1.768000      0.1953000    
 H    10.48280     -0.3257000     -0.3295000    
 H    9.683200     -3.0700000E-02   1.224000    
 H    9.679200       1.224900     -3.0099999E-02
 H   -4.382200      -1.419900       1.226200    


%chk=000116707-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116707

0 1
O -4.562166 -1.465708 0.319682
O -7.112002 0.186527 -1.411919
O -7.805645 -0.329918 0.702910
N -6.963531 0.161138 -0.134384
C 0.690559 -0.158405 -0.246364
C 2.013925 0.401270 0.322006
C -0.565879 0.491035 0.376299
C 3.269807 -0.247836 -0.302194
C -1.884202 -0.079111 -0.191905
C 4.594325 0.310929 0.264781
C -3.137853 0.591223 0.412793
C 5.850069 -0.338087 -0.360130
C -4.451075 -0.055269 -0.078134
C 7.175268 0.220043 0.206054
C 8.430619 -0.429714 -0.419992
C -5.673943 0.750012 0.417510
C 9.750179 0.133656 0.150604
H 0.655745 -1.255437 -0.081094
H 0.672845 -0.009870 -1.346299
H 2.033236 0.251643 1.422032
H 2.048982 1.498742 0.157234
H -0.531272 1.588222 0.208459
H -0.544985 0.344033 1.476813
H 3.250849 -0.098792 -1.402206
H 3.235365 -1.345222 -0.137435
H -1.897720 0.053445 -1.293233
H -1.931612 -1.170108 -0.008769
H 4.614060 0.161426 1.364809
H 4.629151 1.408440 0.100281
H -3.140138 1.669458 0.151993
H -3.094408 0.535051 1.522423
H 5.815491 -1.435631 -0.195719
H 5.830514 -0.188716 -1.460184
H -4.476096 -0.094149 -1.181142
H 7.211795 1.317561 0.041701
H 7.196980 0.070402 1.306060
H 8.407653 -0.280308 -1.518963
H 8.393126 -1.526099 -0.255222
H -5.767460 0.735550 1.515450
H -5.624692 1.788448 0.048173
H 10.631396 -0.346981 -0.313014
H 9.811273 -0.030604 1.243180
H 9.825915 1.222978 -0.028416
H -4.490450 -1.533564 1.307274


