%chk=000125599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125599

0 1
 O    1.571400       2.565400      0.5228000    
 O   -1.028700      0.1139000      -2.292900    
 O    1.947700      -2.063000      0.5304000    
 N    1.710000      0.2449000      0.6689000    
 N   0.3476000      -1.041100     -0.8103000    
 C  -0.2843000       1.275600     -0.3162000    
 C   -1.295200       1.039700      0.8212000    
 C  -0.6790000       2.558200      -1.068500    
 C   -2.707500      0.8912000      0.2670000    
 C    1.091000       1.451300      0.3104000    
 C  -0.3578000      8.4399998E-02  -1.260300    
 C   -3.750200      0.5867000       1.358600    
 C   0.2966000       2.851100      -2.185800    
 C    1.364900      -1.033600      0.1724000    
 C   -3.356600     -0.6869000       2.111100    
 C   -5.162400      0.4347000      0.7916000    
 C    2.884500      0.3174000       1.531600    
 C   0.1025000      -2.310100      -1.487700    
 C    4.107100      0.4277000      0.6828000    
 C   -1.016000      -3.021100     -0.8014000    
 C    5.119300     -0.4464000      0.7161000    
 C  -0.9049000      -4.240300     -0.2618000    
 H   -1.003500      0.1433000       1.377800    
 H   -1.263900       1.869800       1.539300    
 H   -1.663900       2.483400      -1.539700    
 H  -0.7165000       3.417600     -0.3874000    
 H   -3.037500       1.814300     -0.2187000    
 H   -2.766100      9.2600003E-02 -0.4793000    
 H   -3.764900       1.418200       2.074800    
 H  -2.5000000E-02   3.755900      -2.714800    
 H   0.3486000       2.056300      -2.934500    
 H    1.313200       3.046000      -1.835800    
 H   -2.478400     -0.5322000       2.744600    
 H   -3.152600      -1.514800       1.424000    
 H   -4.164800      -1.003100       2.780500    
 H   -5.218900     -0.4024000      8.7499999E-02
 H   -5.888600      0.2564000       1.591600    
 H   -5.465000       1.343800      0.2615000    
 H    2.920300     -0.5636000       2.182500    
 H    2.814400       1.199300       2.178500    
 H    1.016300      -2.914700      -1.505200    
 H  -0.1809000      -2.129400      -2.530500    
 H    4.184600       1.280300      1.2500000E-02
 H   -1.981400      -2.523200     -0.7580000    
 H    5.986700     -0.3068000      8.0300003E-02
 H    5.101600      -1.310500       1.371000    
 H   -1.758400      -4.709100      0.2156000    
 H   3.0800000E-02  -4.787800     -0.2843000    


%chk=000125599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125599

0 1
O 1.375705 2.442097 0.918097
O -1.237258 -0.208971 -2.116841
O 2.210437 -2.106826 0.372567
N 1.769362 0.170136 0.670696
N 0.441460 -1.166066 -0.833487
C -0.317534 1.178861 -0.319170
C -1.409352 1.030600 0.830562
C -0.585984 2.441562 -1.186510
C -2.879535 1.036984 0.357484
C 1.009252 1.334923 0.437157
C -0.399649 -0.084191 -1.181203
C -3.875728 0.632940 1.482005
C 0.483969 2.696211 -2.268346
C 1.507937 -1.099683 0.096096
C -3.792486 -0.876275 1.819495
C -5.319022 1.009945 1.071038
C 2.995380 0.288947 1.526220
C 0.204059 -2.484664 -1.507190
C 4.203689 0.730654 0.722058
C -0.880343 -3.281100 -0.806319
C 5.296921 -0.044646 0.521517
C -0.662612 -4.467974 -0.189687
H -1.198228 0.100000 1.393761
H -1.242624 1.875811 1.526590
H -1.569154 2.314613 -1.669895
H -0.643101 3.308416 -0.503763
H -3.141828 2.052038 0.002180
H -3.015587 0.355984 -0.504955
H -3.618110 1.208353 2.397583
H 0.228233 3.598909 -2.851488
H 0.545433 1.851241 -2.978077
H 1.480797 2.861807 -1.821888
H -2.779337 -1.184014 2.137378
H -4.070142 -1.484281 0.936333
H -4.488972 -1.134790 2.638413
H -5.608286 0.485927 0.139627
H -6.044876 0.727897 1.856227
H -5.416224 2.096899 0.891504
H 3.166862 -0.696331 1.985183
H 2.758582 1.035026 2.304078
H 1.158326 -3.032000 -1.503247
H -0.096059 -2.252189 -2.543449
H 4.156388 1.748657 0.311596
H -1.890488 -2.848583 -0.840842
H 6.158603 0.318083 -0.050240
H 5.356257 -1.065226 0.918579
H -1.477752 -5.024124 0.286914
H 0.338816 -4.912286 -0.140546


