%chk=000050495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050495

0 1
 O   -2.380300       1.552100     -6.0000003E-04
 O   -1.250200       3.520700     -8.3600000E-02
 N    1.283200     -0.5077000      9.4800003E-02
 N    1.183300       2.352100     -2.4900001E-02
 C    1.921600     -0.8428000       1.356600    
 C    1.805400      -1.160200      -1.094300    
 C   0.1075000      0.1990000      5.9599999E-02
 C    3.295600     -0.1886000       1.457100    
 C    2.569400     -0.1669000      -1.963600    
 C   -1.163000     -0.5570000      8.5400000E-02
 C   7.3399998E-02   1.548700      3.8000001E-03
 C   -2.363700      0.1495000      5.5199999E-02
 C    3.989100     -0.4723000       2.782400    
 C    3.176300     -0.8114000      -3.202300    
 C   -1.252900      -1.957900      0.1383000    
 C   -1.213600       2.294700     -3.1099999E-02
 C   -3.611700     -0.4799000      7.6800004E-02
 C   -2.495200      -2.605400      0.1605000    
 C   -3.674200      -1.866600      0.1299000    
 H    2.011000      -1.931800       1.456500    
 H    1.303700     -0.5096000       2.201100    
 H   0.9935000      -1.604100      -1.683600    
 H    2.467700      -1.992200     -0.8236000    
 H    3.214300      0.8961000       1.342000    
 H    3.947200     -0.5472000      0.6529000    
 H    3.369700      0.3143000      -1.391900    
 H    1.897400      0.6344000      -2.292900    
 H    3.398800     -9.0499997E-02   3.621400    
 H    4.133900      -1.548000       2.924600    
 H    4.971000      1.0400000E-02   2.808900    
 H    3.891500      -1.592300      -2.924900    
 H    2.399800      -1.262000      -3.828500    
 H    3.704500     -6.2199999E-02  -3.800300    
 H  -0.3616000      -2.579400      0.1732000    
 H   -4.527200      0.1039000      5.2200001E-02
 H   -2.536700      -3.690200      0.2040000    
 H    2.104800       1.941200     -7.9200000E-02
 H    1.076100       3.357200     -8.1400000E-02
 H   -4.635400      -2.370800      0.1477000    


%chk=000050495-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050495

0 1
O -2.575082 1.539919 0.104914
O -1.609024 3.621912 0.297336
N 1.356264 -0.197218 0.063861
N 0.957260 2.584268 0.304665
C 1.986215 -0.475817 1.381840
C 1.768005 -1.025998 -1.095773
C 0.023864 0.336737 0.087776
C 3.515476 -0.260784 1.412212
C 2.731274 -0.295973 -2.064984
C -1.173694 -0.493251 0.027163
C -0.117771 1.724579 0.208848
C -2.453988 0.137322 0.020368
C 4.101116 -0.546383 2.811852
C 3.112436 -1.177588 -3.274111
C -1.159556 -1.920991 0.007229
C -1.439654 2.381135 0.223937
C -3.658757 -0.587223 -0.043137
C -2.354485 -2.658667 -0.051636
C -3.609512 -1.994795 -0.087500
H 1.769480 -1.520576 1.713464
H 1.512913 0.196167 2.122564
H 0.871291 -1.330580 -1.669901
H 2.247642 -1.962411 -0.734490
H 3.742179 0.781278 1.110036
H 4.002328 -0.919919 0.667164
H 3.641922 0.012096 -1.516627
H 2.238556 0.633298 -2.411543
H 3.663645 0.126840 3.572679
H 3.894159 -1.586994 3.125911
H 5.196387 -0.402925 2.823703
H 3.621693 -2.105143 -2.949455
H 2.215953 -1.471399 -3.852173
H 3.793986 -0.642778 -3.959681
H -0.198920 -2.442432 0.055387
H -4.605713 -0.039447 -0.047408
H -2.317231 -3.753161 -0.064019
H 1.891187 2.198280 0.173452
H 0.780838 3.587411 0.321763
H -4.538683 -2.571491 -0.137484


