%chk=000128714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128714

0 1
 O    1.783800      -2.634300      -2.119500    
 O  -0.4107000      -1.396700      0.2603000    
 O   0.3569000     -0.3027000       2.131800    
 O    4.743700      0.5250000       1.451300    
 O    3.736400       1.309800     -0.4743000    
 O   -4.767000     -0.6134000       1.839700    
 N   -2.856000     -0.5873000      0.5098000    
 C   0.8105000      -2.896800      -1.111400    
 C   0.4124000      -2.386200      -2.454900    
 C   0.8879000      -1.955300      5.5700000E-02
 C   0.6563000      -4.314600     -0.7430000    
 C    1.869600     -0.8293000     -0.1279000    
 C  -0.5422000     -0.5801000       1.344600    
 C   -1.950300     -1.4100000E-02   1.473600    
 C    2.890300     -0.6014000      0.7094000    
 C   -1.959300       1.520900       1.424100    
 C   -1.465800       2.114000      0.1237000    
 C    3.812300      0.5273000      0.4597000    
 C   -4.192700     -0.8387000      0.7776000    
 C  -0.1187000       2.399700     -2.1800000E-02
 C   -2.370900       2.358700     -0.8953000    
 C   0.3367000       2.946600      -1.221400    
 C   -1.915300       2.905600      -2.095100    
 C   -4.916300      -1.415300     -0.4096000    
 C  -0.5615000       3.199400      -2.257900    
 C    5.730000       1.559200       1.370700    
 H  -6.1600000E-02  -3.065100      -3.152900    
 H   9.9399999E-02  -1.355200      -2.562000    
 H    1.149300      -2.531100      0.9546000    
 H    1.494900      -4.656400     -0.1267000    
 H   0.6144000      -4.963000      -1.625200    
 H  -0.2686000      -4.470300     -0.1776000    
 H    1.707800     -0.1680000     -0.9761000    
 H   -2.302500     -0.3276000       2.464900    
 H    3.070300      -1.237600       1.569300    
 H   -2.974900       1.890900       1.620000    
 H   -1.345900       1.916900       2.244900    
 H   -2.493600     -0.7963000     -0.4163000    
 H   0.5897000       2.214200      0.7800000    
 H   -3.427300       2.134900     -0.7785000    
 H    1.390600       3.176300      -1.347900    
 H   -2.614800       3.102600      -2.902200    
 H   -4.337600      -2.234400     -0.8462000    
 H   -5.064400     -0.6336000      -1.159700    
 H   -5.889200      -1.803100     -9.5500000E-02
 H  -0.2069000       3.625200      -3.192000    
 H    6.410800       1.446700       2.218700    
 H    6.304100       1.463500      0.4441000    
 H    5.253500       2.542300       1.430700    


%chk=000128714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128714

0 1
O 2.110190 -3.166451 -1.820951
O -0.396810 -1.365290 0.261921
O 0.071221 -0.762488 2.470821
O 4.889177 0.813471 1.201032
O 3.716830 1.513711 -0.693643
O -4.911263 -0.490924 1.599249
N -2.937473 -0.654815 0.390723
C 0.871389 -3.003244 -0.961488
C 0.831484 -2.612503 -2.407846
C 1.008345 -1.921881 0.114467
C 0.224543 -4.295697 -0.501368
C 1.950638 -0.792993 -0.210933
C -0.718161 -0.797527 1.503832
C -2.119318 -0.190312 1.512879
C 2.970594 -0.428256 0.608238
C -2.020155 1.383002 1.590669
C -1.459735 2.017687 0.329349
C 3.851652 0.715423 0.269340
C -4.312609 -0.767364 0.512898
C -0.060508 2.183353 0.155533
C -2.324866 2.422027 -0.721028
C 0.466422 2.720218 -1.041324
C -1.804770 2.968804 -1.916721
C -5.050462 -1.253299 -0.730077
C -0.407263 3.114227 -2.081959
C 5.844990 1.924402 0.980578
H 0.326933 -3.282049 -3.115293
H 0.880240 -1.558965 -2.707414
H 1.283964 -2.376290 1.084265
H 0.813288 -4.761338 0.309548
H 0.160416 -5.017192 -1.332774
H -0.794910 -4.101055 -0.121464
H 1.780247 -0.226035 -1.135026
H -2.619941 -0.515220 2.444620
H 3.180278 -0.949302 1.547920
H -3.047264 1.737350 1.789109
H -1.399424 1.626995 2.471961
H -2.465911 -0.846109 -0.494167
H 0.621997 1.891272 0.963329
H -3.409417 2.319228 -0.592153
H 1.551436 2.819129 -1.157235
H -2.487189 3.286161 -2.713744
H -4.390493 -1.405998 -1.601328
H -5.831957 -0.521147 -0.995931
H -5.561469 -2.203629 -0.496861
H -0.002665 3.537372 -3.008385
H 6.573089 1.834680 1.798321
H 6.333495 1.817502 -0.002597
H 5.318776 2.893155 1.019409


