%chk=000047967.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047967

0 1
 O   -5.603600      -1.499200       1.164600    
 O    4.290800      -1.724400      -1.040500    
 O    5.736500     -0.6571000      0.5654000    
 O   -2.012700       2.379900     -0.3980000    
 N   -3.912600      0.1299000     -0.4443000    
 C   -3.431800     -0.4795000      0.8035000    
 C   -4.968200     -0.7029000      -1.037100    
 C   -4.599300     -0.6806000       1.765400    
 C   -6.099700     -0.8977000     -3.1900000E-02
 C   -2.811900      0.3209000      -1.386300    
 C   -1.773100       1.231800     -0.7632000    
 C  -0.4109000      0.6346000     -0.6200000    
 C    1.959100      0.8372000      0.1237000    
 C   0.5875000       1.340100     -7.0200004E-02
 C    3.683300     -0.6825000     -0.4101000    
 C    4.508700     -7.3200002E-02  0.5072000    
 C    2.392200     -0.2470000     -0.6267000    
 C    2.785100       1.466100       1.058300    
 C    4.088600       1.005500       1.258300    
 C    5.591900      -1.701900     -0.4183000    
 H   -2.698500      0.1548000       1.312300    
 H   -2.959800      -1.449000      0.5966000    
 H   -4.564000      -1.682300      -1.324800    
 H   -5.370000     -0.2235000      -1.937000    
 H   -4.253300      -1.190400       2.670300    
 H   -5.041000      0.2755000       2.071700    
 H   -6.592100      5.1500000E-02  0.2123000    
 H   -6.858800      -1.566300     -0.4503000    
 H   -3.161600      0.8187000      -2.299000    
 H   -2.369700     -0.6356000      -1.688700    
 H  -0.2951000     -0.3882000     -0.9570000    
 H   0.4114000       2.354900      0.2788000    
 H    1.787900     -0.7471000      -1.374000    
 H    2.432100       2.313800       1.640500    
 H    4.741900       1.482300       1.980100    
 H    6.350500      -1.558800      -1.196400    
 H    5.764700      -2.668600      6.8400003E-02


%chk=000047967-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047967

0 1
O -6.824115 -0.667305 0.525911
O 4.917685 -1.464951 -1.452038
O 6.397689 -0.017855 -0.232352
O -1.935778 1.290414 1.096059
N -4.053496 -0.171071 -0.184397
C -4.442000 -0.465049 1.219499
C -4.990242 -0.811802 -1.140678
C -5.889821 -0.016091 1.464263
C -6.428248 -0.347208 -0.854201
C -2.653834 -0.464849 -0.486435
C -1.615057 0.388630 0.263848
C -0.203966 0.059769 -0.058017
C 2.268689 0.553372 0.321644
C 0.832692 0.746824 0.522303
C 4.176682 -0.551026 -0.662987
C 5.054015 0.299096 0.053841
C 2.795275 -0.454732 -0.556049
C 3.167802 1.400732 1.035458
C 4.575451 1.289757 0.914977
C 6.347463 -1.128973 -1.225959
H -3.769926 0.090491 1.894215
H -4.352927 -1.560169 1.438766
H -4.951464 -1.929424 -1.072563
H -4.710986 -0.521749 -2.172268
H -6.232015 -0.309959 2.470046
H -5.956623 1.086774 1.351463
H -6.501740 0.749046 -1.021652
H -7.151278 -0.872247 -1.500630
H -2.479821 -0.301548 -1.570748
H -2.377711 -1.541348 -0.298558
H -0.029632 -0.750657 -0.778496
H 0.538734 1.538336 1.228107
H 2.141498 -1.124923 -1.119048
H 2.751228 2.164699 1.700894
H 5.255115 1.943212 1.466572
H 6.792047 -0.779183 -2.173497
H 6.863113 -2.007333 -0.803695


