%chk=000031001.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031001

0 1
 O    7.955200      0.3166000      2.6900001E-02
 O   -7.955700     -0.3160000      1.7500000E-02
 N    1.821300     -0.3985000     -1.7600000E-02
 N   -1.819400      0.3985000     -3.5999999E-03
 C   0.6255000      0.4368000     -3.3599999E-02
 C  -0.6259000     -0.4356000     -5.5999998E-03
 C    3.025600      0.4194000     -7.3000002E-03
 C   -3.026000     -0.4206000     -3.7000000E-03
 C    4.269500     -0.4673000      1.5000000E-03
 C   -4.269600      0.4666000      9.1000004E-03
 C    5.545900      0.3721000      2.1500001E-02
 C   -5.546400     -0.3725000      1.8300001E-02
 C    6.793300     -0.5011000     -1.2200000E-02
 C   -6.793400      0.5016000     -1.1300000E-02
 H   0.6187000       1.058100     -0.9380000    
 H   0.6223000       1.107500      0.8352000    
 H  -0.6278000      -1.099100     -0.8798000    
 H  -0.6123000      -1.065000      0.8931000    
 H    3.050000       1.062500     -0.8954000    
 H    3.036700       1.067900      0.8774000    
 H   -3.047600      -1.063900     -0.8919000    
 H   -3.038800      -1.068300      0.8813000    
 H    4.253700      -1.125500      0.8794000    
 H    4.269600      -1.112800     -0.8860000    
 H   -4.268700       1.119200     -0.8732000    
 H   -4.254000       1.117700      0.8923000    
 H    1.808900      -1.003600      0.8031000    
 H   -1.817500       1.007900     -0.8211000    
 H    5.569900       1.006200      0.9164000    
 H    5.564100       1.059200     -0.8336000    
 H   -5.573100      -1.014300      0.9078000    
 H   -5.562400      -1.052300     -0.8427000    
 H    6.817300      -1.175100      0.8502000    
 H    6.822600      -1.099500     -0.9285000    
 H   -6.819500       1.168100      0.8568000    
 H   -6.819900       1.107900     -0.9226000    
 H    8.723800     -0.2786000      3.8000001E-03
 H   -8.724000      0.2797000     -2.6000000E-03


%chk=000031001-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031001

0 1
O 8.085952 0.331864 -0.012644
O -8.086372 -0.332707 0.007304
N 1.863191 -0.335483 0.046669
N -1.863723 0.336350 -0.049091
C 0.616131 0.460842 0.026368
C -0.616551 -0.460057 -0.029468
C 3.107973 0.464869 0.025351
C -3.108281 -0.464383 -0.032143
C 4.350319 -0.446438 0.014803
C -4.350927 0.446551 -0.020076
C 5.670770 0.355002 0.006790
C -5.671195 -0.355186 -0.013327
C 6.904583 -0.550396 -0.017670
C -6.905267 0.549915 0.008023
H 0.639465 1.098697 -0.881904
H 0.507647 1.148329 0.899942
H -0.508506 -1.147191 -0.903354
H -0.639508 -1.098253 0.878574
H 3.098754 1.083222 -0.894832
H 3.180998 1.178346 0.886417
H -3.179895 -1.174936 -0.895756
H -3.100162 -1.085936 0.885891
H 4.324304 -1.108696 0.907167
H 4.290562 -1.107527 -0.871771
H -4.325041 1.110337 -0.911303
H -4.291183 1.106023 0.867699
H 1.866377 -0.996205 0.838354
H -1.865665 0.999172 -0.839062
H 5.730344 1.004152 0.901836
H 5.706017 1.020264 -0.877535
H -5.708012 -1.019013 0.872033
H -5.728830 -1.005805 -0.907422
H 6.905740 -1.216300 0.873629
H 6.891320 -1.187900 -0.929008
H -6.891528 1.190999 0.916851
H -6.907294 1.212323 -0.885869
H 8.908693 -0.219240 -0.035179
H -8.909300 0.218293 0.025010


