%chk=000021684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021684

1 1
 O   0.6526000      6.0699999E-02  2.7500000E-02
 N    4.342000      0.6199000      6.4700000E-02
 N   -1.559600     -0.7546000     -3.4699999E-02
 N   -2.269000      -1.895300     -7.5000003E-02
 C    2.865600      0.9887000      8.2599998E-02
 C    4.648100     -0.1870000      -1.188900    
 C    5.181700       1.889100      6.8700001E-02
 C    4.672600     -0.2110000       1.296000    
 C    2.032900     -0.2777000      4.7300000E-02
 C  -0.2384000     -0.9799000     -1.3800000E-02
 C  -2.2399999E-02  -2.306400     -3.9500002E-02
 C   -1.324600      -2.839800     -7.7799998E-02
 C   -2.220900      0.4737000     -1.8999999E-02
 C   -1.710900      -4.260200     -0.1182000    
 C   -1.612600       1.586500     -0.5851000    
 C   -3.480200      0.5669000      0.5595000    
 C   -2.274900       2.814000     -0.5723000    
 C   -4.142400       1.794500      0.5720000    
 C   -3.539700       2.918000      6.0999999E-03
 H    2.664400       1.576100      0.9865000    
 H    2.657600       1.625500     -0.7858000    
 H    4.224500      0.3307000      -2.054600    
 H    5.736700     -0.2499000      -1.291000    
 H    4.253600      -1.201700      -1.093900    
 H    4.944500       2.456600      0.9734000    
 H    6.239600       1.610200      6.0300000E-02
 H    4.933700       2.469800     -0.8248000    
 H    4.290000      0.3047000       2.181700    
 H    4.246900      -1.213000       1.203000    
 H    5.762000     -0.3008000       1.359400    
 H    2.233400     -0.8647000     -0.8532000    
 H    2.208100     -0.8928000      0.9350000    
 H   0.9142000      -2.844500     -3.3000000E-02
 H  -0.8318000      -4.912900     -0.1134000    
 H   -2.325100      -4.519100      0.7506000    
 H   -2.285900      -4.479300      -1.023900    
 H  -0.6611000       1.551300      -1.104300    
 H   -3.971100     -0.2877000       1.017600    
 H   -1.812600       3.686200      -1.025600    
 H   -5.126600       1.876400       1.023800    
 H   -4.056600       3.873200      1.3500000E-02


%chk=000021684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021684

1 1
O 0.736357 -0.062990 -0.339870
N 4.421354 0.644548 0.049003
N -1.572886 -0.741971 -0.106819
N -2.353882 -1.914304 -0.014382
C 2.899870 0.782094 -0.167396
C 5.054000 -0.218126 -1.044322
C 5.027301 2.050793 -0.016728
C 4.725197 0.041926 1.422304
C 2.110364 -0.538833 -0.187369
C -0.236836 -1.073353 -0.263557
C -0.122833 -2.468945 -0.280661
C -1.469283 -2.945116 -0.123198
C -2.214912 0.537299 0.014045
C -1.958879 -4.364748 -0.084320
C -1.639581 1.703223 -0.548044
C -3.461133 0.601012 0.683916
C -2.308681 2.939413 -0.411792
C -4.119904 1.841357 0.804590
C -3.546975 3.016826 0.264628
H 2.511271 1.419867 0.644533
H 2.755773 1.308931 -1.125899
H 4.773053 0.187067 -2.028337
H 6.148214 -0.192977 -0.927439
H 4.698849 -1.254110 -0.949677
H 4.560964 2.679156 0.757076
H 6.111536 1.982753 0.158638
H 4.834650 2.478728 -1.012064
H 4.229452 0.647019 2.196496
H 4.356509 -0.992654 1.462659
H 5.814424 0.050191 1.580442
H 2.383621 -1.187749 -1.043029
H 2.205887 -1.114127 0.754977
H 0.772561 -3.074753 -0.402891
H -1.488217 -4.932931 0.738413
H -3.050433 -4.378638 0.065095
H -1.733787 -4.894731 -1.027593
H -0.698920 1.644692 -1.100509
H -3.896771 -0.317752 1.083213
H -1.870088 3.840912 -0.853698
H -5.084374 1.888597 1.320811
H -4.064532 3.976807 0.360156


