%chk=000002398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002398

0 1
 O  -0.2544000       4.120500     -0.3247000    
 O   -3.995200       1.752300      -1.487700    
 N    2.730100      0.5999000     -0.3144000    
 N   -2.322800       3.273500     -0.9556000    
 N   -2.035800      -2.392400      -1.832400    
 N    5.458000      -3.004400      -2.253400    
 C   0.6221000       1.284500     -0.1460000    
 C    1.101900      0.9840000       1.161600    
 C    2.424900      0.5575000       1.027300    
 C  -0.6740000       1.756900     -0.5225000    
 C    1.648700       1.037500      -1.031100    
 C    4.003700      0.2398000     -0.8992000    
 C   -1.776900       1.060400     -0.8533000    
 C   -1.963100     -0.3534000     -0.9581000    
 C    4.065700      -1.239900      -1.276900    
 C   -1.014100       3.201600     -0.5803000    
 C   -2.374900      -1.259200      5.9200000E-02
 C   0.5333000       1.035200       2.449700    
 C    3.210800      0.1780000       2.121300    
 C   -2.860300       2.034500      -1.142200    
 C   -2.412500      -2.531400     -0.5155000    
 C   -1.762100      -1.079900      -2.109200    
 C    5.422900      -1.595500      -1.880000    
 C    1.307500      0.6585000       3.553200    
 C    2.625500      0.2368000       3.389200    
 C   -2.720600      -1.118200       1.417900    
 C   -2.779700      -3.674400      0.2036000    
 C   -3.090100      -2.252700       2.149600    
 C   -3.118500      -3.510200       1.549800    
 H    1.697400       1.135000      -2.108100    
 H    4.797000      0.5042000     -0.1917000    
 H    4.147300      0.8682000      -1.786800    
 H    3.879500      -1.858500     -0.3893000    
 H    3.265200      -1.470100      -1.992200    
 H  -0.4923000       1.362600       2.595500    
 H    4.236400     -0.1555000       2.004700    
 H   -2.833100       4.140500      -1.079800    
 H   -1.448800     -0.7853000      -3.101600    
 H    5.616400     -0.9813000      -2.766300    
 H    6.220200      -1.397300      -1.155700    
 H   0.8739000      0.6957000       4.549100    
 H    3.208200     -5.2200001E-02   4.260200    
 H   -1.970700      -3.150300      -2.497700    
 H   -2.705100     -0.1453000       1.900600    
 H   -2.802000      -4.653700     -0.2625000    
 H   -3.357700      -2.149900       3.197900    
 H   -3.408400      -4.378000       2.136800    
 H    6.349500      -3.213300      -2.700800    
 H    4.737900      -3.193300      -2.949600    


%chk=000002398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002398

0 1
O -0.981098 4.091728 1.292482
O -4.302371 2.148622 -1.369408
N 2.312940 0.380032 -0.200636
N -2.830537 3.391940 0.006993
N -2.932149 -1.655685 -2.692933
N 4.325805 -4.263348 -0.552429
C 0.333010 1.445943 0.285839
C 1.289517 1.727654 1.363090
C 2.506270 1.031530 1.034028
C -1.038825 1.884757 0.090158
C 1.017622 0.618651 -0.629255
C 3.283363 -0.505324 -0.864865
C -2.063915 1.288639 -0.655866
C -2.192665 -0.030632 -1.258313
C 3.289038 -1.940377 -0.284858
C -1.543042 3.230688 0.568592
C -1.672032 -1.324338 -0.810256
C 1.244372 2.464218 2.576438
C 3.650465 1.048615 1.860389
C -3.207818 2.265622 -0.755271
C -2.149669 -2.319578 -1.734258
C -2.972171 -0.297289 -2.400775
C 4.281644 -2.872141 -1.035768
C 2.380335 2.481919 3.409951
C 3.572524 1.785682 3.058839
C -0.908583 -1.753385 0.307915
C -1.865128 -3.694014 -1.597290
C -0.622163 -3.126665 0.455557
C -1.086649 -4.087238 -0.488375
H 0.656121 0.207735 -1.569285
H 4.289301 -0.051764 -0.780156
H 3.031866 -0.538382 -1.941245
H 3.556103 -1.907522 0.789816
H 2.266951 -2.361874 -0.350558
H 0.351496 3.034902 2.838679
H 4.566289 0.512493 1.589362
H -3.416713 4.213743 0.150564
H -3.554325 0.402125 -2.994981
H 4.021769 -2.892547 -2.112656
H 5.305729 -2.454107 -0.971448
H 2.350708 3.052508 4.344692
H 4.439901 1.825534 3.727170
H -3.419513 -2.102069 -3.466999
H -0.559798 -1.033247 1.052789
H -2.244455 -4.433636 -2.311209
H -0.042414 -3.464288 1.321962
H -0.852612 -5.147592 -0.342190
H 4.691485 -4.371198 0.398269
H 3.454916 -4.785037 -0.689691


