%chk=000098098.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098098

0 1
 O   -4.100300      -1.808900      0.8533000    
 O    3.474800      -2.370700     -0.3383000    
 O   -3.816400      -2.742700      -1.236700    
 O    3.321700      -1.142900       1.609000    
 N  -0.5006000      0.2353000      0.3097000    
 C   -1.492200     -0.8232000      0.4617000    
 C   -2.589600     -0.7359000     -0.6061000    
 C   0.7754000     -0.1648000      0.9053000    
 C  -0.9771000       1.478700      0.9177000    
 C    1.528400      -1.102200     -3.4100000E-02
 C   -2.033500     -0.7716000      -2.030600    
 C  -0.2899000       2.686200      0.3376000    
 C   -3.567400      -1.882100     -0.4025000    
 C   0.1574000       2.666700     -0.9837000    
 C  -0.1000000       3.824400       1.121400    
 C    2.866100      -1.516100      0.5368000    
 C   0.7943000       3.785300      -1.520800    
 C   0.5369000       4.943000      0.5841000    
 C   0.9841000       4.923500     -0.7369000    
 C    4.759800      -2.854400      6.5899998E-02
 C   -5.027700      -2.845300       1.190900    
 C    5.296000      -3.782200      -1.003500    
 H   -1.918100     -0.8048000       1.474400    
 H   -1.040300      -1.818500      0.3695000    
 H   -3.173400      0.1867000     -0.5011000    
 H   0.6324000     -0.6265000       1.891900    
 H    1.420100      0.7081000       1.074300    
 H  -0.8604000       1.448600       2.009700    
 H   -2.046200       1.632100      0.7254000    
 H    1.713600     -0.5984000     -0.9904000    
 H   0.9645000      -2.020500     -0.2251000    
 H   -2.845300     -0.7974000      -2.766300    
 H   -1.427700      0.1110000      -2.249700    
 H   -1.413700      -1.660500      -2.192900    
 H   1.8700000E-02   1.805300      -1.628400    
 H  -0.4452000       3.852300       2.151400    
 H    1.140500       3.771600      -2.550200    
 H   0.6842000       5.829300       1.194200    
 H    1.479400       5.794700      -1.155500    
 H    5.443100      -2.008300      0.1984000    
 H    4.664200      -3.397100       1.012900    
 H   -5.888900      -2.817300      0.5165000    
 H   -4.535500      -3.821600       1.150100    
 H   -5.376000      -2.670200       2.212300    
 H    4.613800      -4.624300      -1.160400    
 H    5.380000      -3.258400      -1.961400    
 H    6.279600      -4.171400     -0.7263000    


%chk=000098098-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098098

0 1
O -4.769125 -1.421334 0.338644
O 3.646138 -2.305300 -0.480921
O -3.432101 -3.261418 -0.163238
O 3.582850 -1.044599 1.478542
N -0.484671 0.147856 0.471543
C -1.454914 -0.956130 0.645993
C -2.542520 -0.971590 -0.478037
C 0.885089 -0.178385 0.948294
C -0.987987 1.438316 1.006393
C 1.636738 -1.069890 -0.057980
C -1.920114 -1.278766 -1.857376
C -0.269301 2.656033 0.431296
C -3.585897 -2.018905 -0.113157
C 0.058779 2.718346 -0.946819
C 0.037416 3.765108 1.257241
C 3.028343 -1.440123 0.426177
C 0.673586 3.868351 -1.488129
C 0.650281 4.919975 0.718101
C 0.969600 4.975722 -0.657682
C 5.035071 -2.742632 -0.134613
C -5.839799 -2.358240 0.762459
C 5.496196 -3.666975 -1.256737
H -1.956440 -0.905428 1.643137
H -0.917168 -1.920428 0.608914
H -3.046389 0.011263 -0.498804
H 0.875068 -0.665041 1.951728
H 1.441887 0.767079 1.065878
H -0.935016 1.473261 2.123447
H -2.063120 1.505343 0.747888
H 1.724550 -0.543851 -1.027116
H 1.084879 -2.004220 -0.273366
H -2.654352 -1.142240 -2.671125
H -1.070699 -0.595225 -2.026649
H -1.556839 -2.321455 -1.893115
H -0.164602 1.850440 -1.577408
H -0.200954 3.724284 2.327796
H 0.922217 3.903716 -2.555208
H 0.883712 5.769208 1.370391
H 1.448022 5.868011 -1.077073
H 5.668737 -1.842455 -0.037339
H 5.004958 -3.248458 0.847529
H -6.137190 -3.003215 -0.081302
H -5.486463 -2.992222 1.593094
H -6.669450 -1.711584 1.080323
H 4.833839 -4.545415 -1.340741
H 5.498337 -3.139438 -2.225852
H 6.522418 -4.022749 -1.051520


