%chk=000003025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003025

0 1
 O    3.552400      -1.331100     -0.1336000    
 O   -1.682400      0.1783000      -1.748500    
 N   -5.348800      -1.411200      0.4884000    
 N   -1.648700      -1.175900      0.1335000    
 N    2.916700      0.8907000      7.1099997E-02
 C   -4.013500     -0.8623000      0.6866000    
 C   -2.978200      -1.719200     -2.7100001E-02
 C   -6.264000     -0.9305000       1.525500    
 C   -5.858800      -1.061900     -0.8390000    
 C   0.2796000      0.1833000     -0.4642000    
 C   -6.423200      0.5790000       1.460500    
 C   -7.222900      -1.684100      -1.084400    
 C   0.6101000       1.523500     -0.2225000    
 C   -1.084200     -0.2520000     -0.7498000    
 C    1.959200       1.837100      4.4500001E-02
 C    1.264000     -0.7941000     -0.4376000    
 C    5.825600      -2.043100      0.1224000    
 C    2.556000     -0.3911000     -0.1674000    
 C    4.865400     -0.8622000      0.1491000    
 C    7.256100      -1.613200      0.4346000    
 C  -0.3635000       2.536700     -0.2423000    
 C    2.287000       3.168500      0.2846000    
 C  -7.7000000E-03   3.860100      1.3000000E-03
 C    1.319300       4.176100      0.2649000    
 C    8.204300      -2.801500      0.4494000    
 H   -3.749700     -0.8585000       1.753200    
 H   -3.931300      0.1771000      0.3430000    
 H   -3.173200      -1.802700      -1.100100    
 H   -2.962200      -2.732200      0.3905000    
 H   -5.870000      -1.207500       2.512200    
 H   -7.239500      -1.425500       1.476000    
 H   -5.884300      1.5100000E-02  -1.039700    
 H   -5.199000      -1.485700      -1.604300    
 H   -1.109300      -1.481900      0.9383000    
 H   -5.481000       1.124700       1.561200    
 H   -6.941100      0.9228000      0.5610000    
 H   -7.047200      0.8985000       2.304100    
 H   -7.236500      -2.747500     -0.8217000    
 H   -8.022500      -1.174200     -0.5388000    
 H   -7.473200      -1.609900      -2.148700    
 H    5.490000      -2.798100      0.8446000    
 H    5.780200      -2.528200     -0.8607000    
 H    1.039100      -1.839000     -0.6261000    
 H    4.888400     -0.3952000       1.141800    
 H    5.172900     -0.1282000     -0.6063000    
 H    7.598400     -0.8875000     -0.3122000    
 H    7.291500      -1.115500       1.410700    
 H   -1.412500       2.326800     -0.4315000    
 H    3.319600       3.442000      0.4940000    
 H  -0.7628000       4.640100     -1.1600000E-02
 H    7.908700      -3.530100       1.211000    
 H    9.223300      -2.470600      0.6735000    
 H    8.216600      -3.305400     -0.5223000    
 H    1.605800       5.206000      0.4569000    


%chk=000003025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003025

0 1
O 3.502716 -1.178761 0.053522
O -1.878385 0.619791 -1.741317
N -5.359977 -1.388635 0.390605
N -1.606477 -1.021970 -0.115632
N 3.025313 1.132681 -0.082360
C -3.992918 -0.910127 0.688887
C -2.967187 -1.559862 -0.280167
C -6.195367 -1.672119 1.582755
C -6.023037 -0.615120 -0.691111
C 0.283635 0.453684 -0.591568
C -6.636442 -0.443221 2.426411
C -7.204345 -1.363592 -1.335916
C 0.683084 1.847581 -0.568520
C -1.147534 0.045397 -0.872199
C 2.079608 2.132130 -0.294934
C 1.250677 -0.531082 -0.383816
C 5.704611 -2.116355 0.431014
C 2.608115 -0.135290 -0.135655
C 4.924256 -0.808281 0.299382
C 7.206325 -1.861290 0.702523
C -0.215111 2.941844 -0.781998
C 2.522003 3.489393 -0.236893
C 0.245879 4.261037 -0.719160
C 1.620100 4.537504 -0.443993
C 8.014119 -3.171988 0.815275
H -3.732982 -1.186193 1.729273
H -3.894803 0.197933 0.613320
H -3.271322 -1.363325 -1.321658
H -2.956115 -2.652716 -0.122564
H -5.625609 -2.368803 2.227848
H -7.093247 -2.226241 1.251573
H -6.366409 0.388168 -0.334916
H -5.261828 -0.416371 -1.468052
H -1.018684 -1.379019 0.639580
H -5.763253 0.123692 2.799358
H -7.267289 0.248850 1.839922
H -7.225221 -0.773901 3.302501
H -6.878158 -2.357724 -1.689315
H -8.042723 -1.506004 -0.630178
H -7.590649 -0.791246 -2.199183
H 5.272070 -2.719608 1.252623
H 5.586196 -2.706183 -0.498397
H 1.021731 -1.598409 -0.445064
H 4.976692 -0.192347 1.217000
H 5.280809 -0.188946 -0.544916
H 7.627737 -1.236270 -0.110940
H 7.318522 -1.274876 1.637052
H -1.258505 2.726425 -1.025772
H 3.580815 3.669557 -0.027649
H -0.450201 5.089273 -0.890267
H 7.632295 -3.803793 1.639139
H 9.083194 -2.970806 1.010520
H 7.944988 -3.760725 -0.118538
H 1.967290 5.575860 -0.399436


