%chk=000006789.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006789

0 1
 O   -4.511900      0.5210000      0.3371000    
 N  -0.4903000      0.9690000     -6.6600002E-02
 C  -5.0799999E-02  -1.389700     -2.0600000E-02
 C    1.228600     -0.5658000      1.1200000E-02
 C   -1.130300     -0.2720000     -6.9499999E-02
 C   0.8973000      0.8025000     -1.7100001E-02
 C  -0.1713000      -2.240700       1.251100    
 C  -8.8299997E-02  -2.271700      -1.276400    
 C    2.547200     -0.9926000      6.0899999E-02
 C    1.898900       1.760700      5.1000002E-03
 C   -1.074600       2.292900     -9.6100003E-02
 C   -2.447300     -0.5270000     -0.1061000    
 C    3.552600     -2.6100000E-02  8.2800001E-02
 C    3.231100       1.339000      5.5199999E-02
 C   -3.391000      0.6004000     -0.1509000    
 H   0.6526000      -2.959600       1.329800    
 H  -0.1496000      -1.620500       2.155400    
 H   -1.105900      -2.812800       1.263000    
 H   0.7363000      -2.994000      -1.281800    
 H   -1.022500      -2.841300      -1.336800    
 H  -3.7000000E-03  -1.674000      -2.192200    
 H    2.798500      -2.047400      8.2500003E-02
 H    1.693400       2.824300     -2.3300000E-02
 H   -1.411400       2.550100      -1.105600    
 H  -0.3705000       3.077600      0.1974000    
 H   -1.884700       2.397300      0.6324000    
 H   -2.851200      -1.530200     -4.9500000E-02
 H    4.594700     -0.3318000      0.1213000    
 H    4.028700       2.077300      7.1000002E-02
 H   -3.140800       1.447000     -0.7969000    


%chk=000006789-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006789

0 1
O -4.802106 0.011885 -0.316534
N -0.420901 1.021670 -0.045592
C -0.040858 -1.340736 0.002971
C 1.273313 -0.560641 0.005734
C -1.095695 -0.202685 -0.061038
C 0.992596 0.828197 -0.030716
C -0.207488 -2.174934 1.306757
C -0.149111 -2.264736 -1.243916
C 2.601256 -1.008475 0.040017
C 2.018115 1.793863 -0.044782
C -1.046172 2.344250 0.015454
C -2.458396 -0.460390 -0.118329
C 3.652261 -0.052803 0.032755
C 3.357478 1.329872 -0.010332
C -3.596466 0.425020 -0.307525
H 0.583560 -2.944188 1.366880
H -0.136300 -1.533449 2.202098
H -1.187172 -2.684743 1.321575
H 0.639193 -3.038475 -1.210314
H -1.130933 -2.769573 -1.270655
H -0.030448 -1.688470 -2.177682
H 2.831841 -2.079550 0.071074
H 1.810591 2.867410 -0.090926
H -1.464789 2.647111 -0.962505
H -0.296616 3.089462 0.323445
H -1.858631 2.344327 0.762778
H -2.745670 -1.516858 -0.042154
H 4.694879 -0.386506 0.056772
H 4.175647 2.058459 -0.021770
H -3.399177 1.507586 -0.486740


