%chk=000073858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073858

0 1
 O    3.125800       1.692200     -0.1172000    
 O   -3.127600       1.691700      0.1133000    
 O    3.722500     -0.8195000       1.404900    
 O   -3.719900     -0.8237000      -1.404500    
 N    1.142600      0.7810000     -0.9083000    
 N   -1.140800      0.7894000      0.9081000    
 C   0.3154000       1.945300     -0.6906000    
 C  -0.3183000       1.948400      0.6903000    
 C    2.492000      0.7552000     -0.5989000    
 C   -2.493700      0.7562000      0.5979000    
 C    3.148700     -0.5700000     -0.9242000    
 C   -3.149900     -0.5688000      0.9249000    
 C    3.804200      -1.254300      0.2571000    
 C   -3.802900      -1.256200     -0.2559000    
 C    4.544400      -2.532400     -3.8899999E-02
 C   -4.542400      -2.534400      4.1800000E-02
 H  -0.4553000       1.936900      -1.469000    
 H   0.9222000       2.847400     -0.8236000    
 H  -0.9245000       2.851500      0.8190000    
 H   0.4530000       1.943700       1.468200    
 H   0.6970000     -4.6000000E-02  -1.293800    
 H  -0.6949000     -3.6499999E-02   1.296000    
 H    2.423200      -1.269400      -1.352600    
 H    3.916900     -0.3727000      -1.680200    
 H   -2.423300      -1.266000       1.355200    
 H   -3.919000     -0.3710000       1.679900    
 H    4.999000      -2.916600      0.8784000    
 H    3.846700      -3.277600     -0.4287000    
 H    5.335000      -2.337600     -0.7677000    
 H   -4.995000      -2.921200     -0.8755000    
 H   -3.844800      -3.278000      0.4346000    
 H   -5.334500      -2.338700      0.7688000    


%chk=000073858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073858

0 1
O 2.904935 1.612042 -0.831263
O -2.905873 1.612527 0.827213
O 1.349023 -1.169227 1.001568
O -1.348027 -1.172040 -0.999018
N 0.675099 1.012736 -1.207358
N -0.675917 1.014966 1.205359
C 0.107256 2.301334 -0.775673
C -0.108526 2.302899 0.771071
C 2.015684 0.738507 -1.078066
C -2.016313 0.739869 1.076032
C 2.372605 -0.755108 -1.192691
C -2.372658 -0.753607 1.193922
C 2.223717 -1.490599 0.148499
C -2.222756 -1.492112 -0.145492
C 3.192315 -2.631096 0.402819
C -3.190579 -2.633750 -0.397615
H -0.859713 2.444816 -1.286491
H 0.795870 3.114256 -1.059528
H -0.797496 3.116127 1.053188
H 0.858335 2.447815 1.281687
H 0.011664 0.225375 -1.279987
H -0.012146 0.228060 1.279898
H 1.709135 -1.265549 -1.920478
H 3.408598 -0.850115 -1.557338
H -1.709349 -1.262109 1.923217
H -3.408796 -0.848212 1.558275
H 2.891855 -3.208478 1.290378
H 3.263166 -3.294097 -0.478959
H 4.204334 -2.212795 0.569660
H -2.889178 -3.213216 -1.283497
H -3.261792 -3.294554 0.485777
H -4.202673 -2.216366 -0.566309


