%chk=000023573.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023573

0 1
 O  -0.1922000      0.6473000       1.285700    
 N    4.657600       1.687100      5.9200000E-02
 C  -4.7800001E-02  5.0299998E-02 -4.1800000E-02
 C   -1.477600       1.308100       1.434100    
 C   -1.395300      0.2507000     -0.6725000    
 C   -2.218800      0.9723000      0.1838000    
 C    1.028000      0.8869000     -0.7533000    
 C   0.3357000      -1.422600      9.7199999E-02
 C    2.342900      0.8814000      2.4400000E-02
 C   -1.227500       2.809700       1.573800    
 C   -2.157400      0.7543000       2.685300    
 C   -1.852300     -0.1554000      -1.919200    
 C   -3.519900       1.295000     -0.1746000    
 C    3.416600       1.685800     -0.7064000    
 C    1.026200      -2.062100     -0.9315000    
 C  -4.9000001E-03  -2.124800       1.252600    
 C   -3.160600      0.1614000      -2.289900    
 C   -3.991000      0.8816000      -1.421200    
 C    1.376400      -3.406400     -0.8048000    
 C   0.3456000      -3.469000       1.379200    
 C    1.036200      -4.109700      0.3505000    
 C    5.680100       2.478200     -0.6106000    
 H    1.188000      0.5649000      -1.788700    
 H   0.6926000       1.931200     -0.8243000    
 H    2.193100       1.314200       1.021600    
 H    2.711400     -0.1393000      0.1732000    
 H  -0.5863000       3.016500       2.438300    
 H  -0.7050000       3.211200      0.6981000    
 H   -2.161900       3.368400       1.693900    
 H   -2.359500     -0.3183000       2.590200    
 H   -1.513500      0.8759000       3.563700    
 H   -3.111600       1.254600       2.883500    
 H   -1.213500     -0.7074000      -2.600400    
 H   -4.162000       1.859800      0.4930000    
 H    3.585600       1.252000      -1.699600    
 H    3.062000       2.714500     -0.8442000    
 H    1.290500      -1.556500      -1.854000    
 H  -0.5420000      -1.659300       2.071200    
 H   -3.537500     -0.1502000      -3.260200    
 H   -5.006300       1.123200      -1.723100    
 H    1.909900      -3.907000      -1.607600    
 H   8.0399998E-02  -4.017300       2.278500    
 H    4.990400      0.7302000      0.1742000    
 H    1.307800      -5.156700      0.4486000    
 H    5.918200       2.073400      -1.599700    
 H    6.597400       2.468200     -1.3600000E-02
 H    5.368500       3.522500     -0.7160000    


%chk=000023573-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023573

0 1
O -0.228030 0.672788 1.337874
N 4.777006 1.713901 -0.008895
C -0.032149 0.074695 -0.018904
C -1.583562 1.312289 1.478353
C -1.394857 0.272188 -0.693783
C -2.263165 0.991782 0.155081
C 1.078997 0.891437 -0.745546
C 0.345764 -1.412573 0.136110
C 2.431386 0.890309 -0.005252
C -1.375985 2.827302 1.696930
C -2.284585 0.658041 2.687972
C -1.821406 -0.132020 -1.974670
C -3.568330 1.322652 -0.259447
C 3.486909 1.749509 -0.726522
C 0.772241 -2.171161 -0.985655
C 0.260736 -2.055330 1.394850
C -3.130784 0.197768 -2.397642
C -4.000384 0.921788 -1.545947
C 1.089143 -3.541039 -0.854813
C 0.580898 -3.425301 1.528516
C 0.991880 -4.176877 0.404478
C 5.855776 2.493323 -0.640153
H 1.205613 0.495361 -1.773835
H 0.709899 1.930431 -0.850825
H 2.288748 1.271745 1.021331
H 2.803338 -0.151101 0.083831
H -0.765310 2.994573 2.601222
H -0.854935 3.276732 0.834438
H -2.346620 3.340954 1.827590
H -2.423141 -0.422929 2.516743
H -1.672869 0.799499 3.596448
H -3.276031 1.116216 2.860872
H -1.160889 -0.703395 -2.635352
H -4.242564 1.880191 0.401110
H 3.577677 1.408989 -1.793189
H 3.145559 2.804522 -0.763603
H 0.871392 -1.697039 -1.969097
H -0.038952 -1.461086 2.262227
H -3.476060 -0.112339 -3.390200
H -5.012374 1.169607 -1.885168
H 1.414194 -4.109857 -1.733614
H 0.512905 -3.904312 2.512204
H 5.062964 0.747323 0.196803
H 1.238736 -5.239549 0.508001
H 6.072794 2.209975 -1.701083
H 6.787790 2.382108 -0.057675
H 5.587335 3.566710 -0.635510


