%chk=000122751.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122751

0 1
 O  -0.3629000       2.010800     -0.3394000    
 O   -3.844600      -1.996000      0.2675000    
 N    1.668700      0.3908000     -0.5829000    
 N   -1.991700      -3.821000      5.0999999E-02
 C  -0.6703000     -0.3366000     -0.2305000    
 C   -1.580400      -1.383900     -7.2499998E-02
 C   0.6891000     -0.6150000     -0.4166000    
 C   -2.567600       1.346200     -5.1000002E-03
 C   -3.477600      0.2989000      0.1533000    
 C   -1.130600       1.066700     -0.2029000    
 C   -3.017300      -1.104300      0.1256000    
 C   -1.131200      -2.709600     -0.1011000    
 C    1.132500      -1.937600     -0.4444000    
 C   0.2243000      -2.982600     -0.2871000    
 C   -3.016800       2.672000      2.3399999E-02
 C   -4.836900      0.5773000      0.3402000    
 C    3.035000      0.4501000     -0.2562000    
 C   -4.372200       2.945000      0.2102000    
 C   -5.280300       1.899900      0.3681000    
 C    3.907500       1.222900      -1.026600    
 C    3.526800     -0.2642000      0.8391000    
 C    5.750600      0.5667000      0.3911000    
 C    5.263200       1.280900     -0.7034000    
 C    4.882400     -0.2059000       1.162300    
 C    7.200000      0.6287000      0.7370000    
 H    2.174200      -2.193100     -0.6180000    
 H   0.5882000      -4.006900     -0.3186000    
 H    1.329700       1.213800      -1.072000    
 H   -2.330900       3.506200     -9.7099997E-02
 H   -5.566900     -0.2177000      0.4661000    
 H   -4.720100       3.973700      0.2323000    
 H   -6.335000       2.115200      0.5132000    
 H   -1.613400      -4.758900      2.2800000E-02
 H   -2.983800      -3.692600      0.1896000    
 H    3.540700       1.783200      -1.882900    
 H    2.871300     -0.8541000       1.474100    
 H    5.930100       1.884600      -1.313200    
 H    5.249700     -0.7638000       2.019700    
 H    7.743300     -0.1709000      0.2236000    
 H    7.635100       1.591000      0.4466000    
 H    7.353400      0.5208000       1.816100    


%chk=000122751-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122751

0 1
O -0.325838 2.080855 -0.252465
O -3.976760 -2.076569 0.131710
N 1.629713 0.442387 -0.194471
N -2.070515 -3.812129 0.065797
C -0.694064 -0.311656 -0.089081
C -1.653935 -1.394841 -0.016414
C 0.719763 -0.599756 -0.128022
C -2.607244 1.354615 -0.044843
C -3.548528 0.288168 0.045970
C -1.154307 1.079526 -0.132333
C -3.094748 -1.124400 0.055505
C -1.194108 -2.756786 -0.010840
C 1.140291 -1.976456 -0.164142
C 0.219475 -3.010164 -0.111349
C -3.066690 2.697840 -0.057664
C -4.935336 0.579396 0.122899
C 3.039261 0.411259 -0.041098
C -4.443107 2.977060 0.021778
C -5.381563 1.913603 0.112089
C 3.805046 1.369407 -0.760996
C 3.713985 -0.459612 0.858548
C 5.890539 0.552972 0.272840
C 5.202358 1.437152 -0.599285
C 5.115183 -0.386241 1.000769
C 7.401496 0.606731 0.414077
H 2.202402 -2.205878 -0.280142
H 0.566344 -4.049491 -0.161124
H 1.141029 1.371962 -0.308516
H -2.321006 3.495085 -0.130444
H -5.632914 -0.260949 0.189881
H -4.793062 4.015158 0.013506
H -6.452964 2.134023 0.172989
H -1.728932 -4.771069 0.063216
H -3.076869 -3.561518 0.119518
H 3.293480 2.053910 -1.447159
H 3.142913 -1.151897 1.485149
H 5.770393 2.186382 -1.164023
H 5.613038 -1.059539 1.709547
H 7.896394 -0.060878 -0.318514
H 7.787940 1.626542 0.239704
H 7.726744 0.286493 1.419832


