%chk=000097047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097047

0 1
 O   -3.732800      -2.748200     -8.6099997E-02
 O    3.733600      -2.748200      8.4600002E-02
 O   -1.836600      -1.740300     -0.5417000    
 O    1.837600      -1.741500      0.5437000    
 N   -3.054900      -1.706700     -0.2490000    
 N    3.055400      -1.707200      0.2490000    
 N  -0.6238000      0.7451000      0.2942000    
 N   0.6362000      0.7451000     -0.2938000    
 C   -2.980000      0.7458000     -0.2673000    
 C    2.973700      0.7453000      0.2700000    
 C   -3.690300     -0.4427000     -9.7000003E-02
 C    3.689800     -0.4426000      9.6400000E-02
 C   -3.625900       1.972500     -0.1127000    
 C    3.624000       1.972400      0.1134000    
 C   -5.046200     -0.4043000      0.2283000    
 C    5.045200     -0.4033000     -0.2310000    
 C   -4.981900       2.010600      0.2124000    
 C    4.979500       2.011600     -0.2139000    
 C   -5.692100      0.8224000      0.3828000    
 C    5.690000      0.8238000     -0.3860000    
 C   -1.562200      0.7459000     -0.6071000    
 C    1.561900      0.7444000      0.6107000    
 H   -3.083800       2.905700     -0.2430000    
 H    3.082500       2.906100      0.2449000    
 H   -5.634900      -1.307100      0.3697000    
 H    5.634200      -1.305800     -0.3737000    
 H   -5.484900       2.965800      0.3328000    
 H    5.481600       2.967000     -0.3347000    
 H   -6.747800      0.8529000      0.6360000    
 H    6.745300      0.8550000     -0.6409000    
 H   -1.323800      0.7605000      -1.687200    
 H    1.323400      0.7575000       1.690800    


%chk=000097047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097047

0 1
O -5.047820 0.059551 -3.160900
O 5.048111 0.063353 3.160412
O -2.992826 1.019951 -2.989026
O 2.991776 1.020905 2.989003
N -4.051857 0.496194 -2.463900
N 4.051432 0.498683 2.463624
N -0.642087 0.492747 0.312792
N 0.641483 0.493281 -0.313002
C -3.013522 0.429277 -0.120810
C 3.012962 0.431456 0.120550
C -4.156856 0.408283 -0.980856
C 4.156367 0.411222 0.980516
C -3.268929 0.364044 1.282194
C 3.268359 0.366993 -1.282500
C -5.473027 0.313930 -0.472778
C 5.472596 0.318182 0.472332
C -4.574765 0.293731 1.796309
C 4.574222 0.298017 -1.796708
C -5.685435 0.263687 0.916765
C 5.684969 0.268592 -0.917234
C -1.613988 0.454979 -0.583551
C 1.613400 0.455602 0.583316
H -2.399194 0.366066 1.945786
H 2.398581 0.368478 -1.946038
H -6.306105 0.286972 -1.179510
H 6.305715 0.291744 1.179034
H -4.731251 0.255887 2.879245
H 4.730693 0.260729 -2.879666
H -6.705091 0.204020 1.309756
H 6.704647 0.209909 -1.310314
H -1.391776 0.445558 -1.657257
H 1.391216 0.445476 1.657018


