%chk=000049292.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049292

0 1
 O   0.3859000     -0.3359000      -2.416200    
 O   0.2588000     -0.2403000       2.374900    
 O   0.8775000      -4.151500      7.1199998E-02
 N   0.6649000      -2.217200      -1.145100    
 N   0.6056000      -2.170100       1.196700    
 C   0.5480000     -1.6899999E-02 -1.9900000E-02
 C  -0.6343000      0.9376000     -7.0000000E-02
 C   -1.963800      0.1837000     -5.0900001E-02
 C   -3.151400       1.149000     -6.7699999E-02
 C    1.817800      0.7870000     -2.9000000E-03
 C   0.5114000     -0.8515000      -1.303300    
 C   0.4434000     -0.7997000       1.291900    
 C   -4.480600      0.3928000     -1.0100000E-02
 C   -5.702400       1.314000     -1.9999999E-04
 C    3.043600      0.1339000     -3.2699998E-02
 C    1.751300       2.174000      4.1999999E-02
 C   0.7334000      -2.927900      4.3000001E-02
 C    4.222200      0.8798000     -1.7100001E-02
 C    2.930000       2.919700      5.7399999E-02
 C   -7.026600      0.5668000      3.1199999E-02
 C    4.165400       2.272600      2.7799999E-02
 H  -0.6281000       1.562600     -0.9745000    
 H  -0.6624000       1.603900      0.8041000    
 H   -2.044900     -0.4818000     -0.9181000    
 H   -2.046200     -0.4453000      0.8425000    
 H   -3.117500       1.762600     -0.9759000    
 H   -3.085400       1.831700      0.7879000    
 H   -4.502200     -0.2366000      0.8884000    
 H   -4.548700     -0.2834000     -0.8714000    
 H   -5.649200       1.977800      0.8710000    
 H   -5.680300       1.955100     -0.8895000    
 H   0.7019000      -2.766800      -1.999200    
 H   0.5985000      -2.685000       2.072800    
 H    3.112900     -0.9492000     -6.4700000E-02
 H   0.8438000       2.763600      6.3600004E-02
 H    5.184100      0.3761000     -3.9299998E-02
 H    2.887800       4.004600      9.1600001E-02
 H   -7.862300       1.273400      3.7500001E-02
 H   -7.100700     -5.7799999E-02  0.9270000    
 H   -7.131400     -7.8199998E-02 -0.8469000    
 H    5.083000       2.853400      3.9900001E-02


%chk=000049292-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049292

0 1
O 0.311105 -0.312263 -2.429790
O 0.294487 -0.282195 2.434064
O 1.145281 -4.162863 0.028838
N 0.786893 -2.186307 -1.166851
N 0.777149 -2.171918 1.197386
C 0.526642 0.035028 0.000897
C -0.734664 0.950206 -0.009348
C -2.071990 0.176753 -0.007404
C -3.288319 1.129758 -0.014773
C 1.868906 0.832271 -0.000012
C 0.519554 -0.808344 -1.295718
C 0.510250 -0.792221 1.307574
C -4.641494 0.383893 -0.013164
C -5.860410 1.334247 -0.018462
C 3.098614 0.122356 0.015225
C 1.897900 2.246386 -0.016984
C 0.924510 -2.926619 0.020371
C 4.329206 0.811156 0.013618
C 3.131183 2.936425 -0.018630
C -7.209293 0.583016 -0.017252
C 4.350559 2.224425 -0.003457
H -0.683221 1.585244 -0.912352
H -0.688087 1.598780 0.884268
H -2.129747 -0.483789 -0.896473
H -2.133034 -0.473666 0.888876
H -3.233134 1.787208 -0.907305
H -3.236267 1.796629 0.870921
H -4.696688 -0.275942 0.877918
H -4.694728 -0.283506 -0.898704
H -5.806224 2.000815 0.866477
H -5.803992 1.993925 -0.908418
H 0.846497 -2.728833 -2.035255
H 0.829593 -2.703915 2.072750
H 3.108361 -0.974214 0.028669
H 0.968368 2.820718 -0.028916
H 5.267743 0.246323 0.025643
H 3.136227 4.031880 -0.031819
H -8.063739 1.284495 -0.020988
H -7.304071 -0.060163 0.878040
H -7.301849 -0.067005 -0.907818
H 5.304720 2.762428 -0.004844


