%chk=000052222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052222

0 1
 O    1.198900      0.6688000      -1.222700    
 O   -5.130500      0.7982000      0.2071000    
 N    3.628000     -0.3261000     -0.3726000    
 N   0.1179000     -0.9865000      4.3499999E-02
 C    6.036000      0.8656000      0.7779000    
 C    6.098400     -0.2101000     -0.3004000    
 C    4.713600       1.620300      0.7014000    
 C    4.864200      -1.112600     -0.2579000    
 C    3.523300      0.6601000      0.7120000    
 C    2.460000      -1.206500     -0.3779000    
 C    1.203600     -0.3779000     -0.5828000    
 C   -1.221700     -0.5313000      8.4700003E-02
 C   -2.170200      -1.278500      0.7628000    
 C   -1.555000      0.6517000     -0.5536000    
 C   -3.842800      0.3596000      0.1658000    
 C   -3.490400     -0.8298000      0.8036000    
 C   -2.875200       1.100300     -0.5126000    
 C   -6.152000     -0.1941000      0.2948000    
 C   -7.406000      0.3287000     -0.3730000    
 H    6.873900       1.561900      0.6640000    
 H    6.135200      0.3997000       1.765900    
 H    6.172300      0.2651000      -1.286900    
 H    7.003400     -0.8140000     -0.1681000    
 H    4.637300       2.314500       1.546100    
 H    4.689600       2.225700     -0.2137000    
 H    4.870000      -1.699400      0.6702000    
 H    4.931300      -1.821800      -1.091900    
 H    2.625900       1.281200      0.6329000    
 H    3.473800      0.1561000       1.686900    
 H    2.513500      -1.911700      -1.216000    
 H    2.400300      -1.784900      0.5523000    
 H   0.2842000      -1.865000      0.5294000    
 H   -1.904600      -2.203100       1.267900    
 H  -0.8660000       1.280600      -1.097400    
 H   -4.206400      -1.421600       1.366000    
 H   -3.145200       2.027800      -1.010600    
 H   -5.867100      -1.120100     -0.2205000    
 H   -6.355800     -0.4087000       1.349600    
 H   -8.215500     -0.4044000     -0.3149000    
 H   -7.737000       1.258100      0.1024000    
 H   -7.214300      0.5611000      -1.425800    


%chk=000052222-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052222

0 1
O 1.227669 0.759180 -1.192951
O -5.344306 0.566434 -0.398881
N 3.743954 -0.291030 -0.164743
N 0.115533 -0.889359 0.057262
C 6.280829 0.841394 0.784723
C 6.225802 -0.192770 -0.363189
C 4.957176 1.637010 0.841645
C 4.985434 -1.097919 -0.221327
C 3.747186 0.687877 0.949037
C 2.536470 -1.112792 -0.218184
C 1.250099 -0.296991 -0.500420
C -1.252229 -0.505050 -0.073476
C -2.228519 -1.307867 0.567423
C -1.671383 0.638453 -0.810681
C -4.011714 0.147858 -0.248282
C -3.601084 -0.992062 0.486908
C -3.038787 0.952146 -0.891748
C -6.393451 -0.233901 0.259523
C -7.726089 0.442200 -0.052510
H 7.139676 1.525486 0.648828
H 6.436474 0.313377 1.749020
H 6.167372 0.336288 -1.333586
H 7.138467 -0.819525 -0.372823
H 4.954393 2.330980 1.704131
H 4.847078 2.241716 -0.078283
H 5.103234 -1.733000 0.699194
H 4.916609 -1.783865 -1.087448
H 2.810803 1.270890 0.900306
H 3.775813 0.163250 1.943263
H 2.648729 -1.838613 -1.049369
H 2.380136 -1.723711 0.717265
H 0.284981 -1.717376 0.634900
H -1.919197 -2.194228 1.137166
H -0.922021 1.260050 -1.303412
H -4.326420 -1.634935 0.993257
H -3.375683 1.828389 -1.454182
H -6.368223 -1.272398 -0.131990
H -6.204807 -0.264239 1.353101
H -8.556056 -0.118297 0.415077
H -7.737742 1.475033 0.335159
H -7.897308 0.478913 -1.141804


