%chk=000140444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140444

0 1
 O   8.9999998E-04  -3.147600     -3.0000001E-04
 N   -4.747900     -0.2556000     -0.1968000    
 N    4.748300     -0.2533000      0.1969000    
 N   -4.353300      -2.482800      -1.925900    
 N    4.354900      -2.481200       1.925500    
 C   -3.551700     -0.9982000     -0.1589000    
 C    3.548800     -0.9988000      0.1587000    
 C   -1.162800      -2.443800     -5.3100001E-02
 C    1.184600      -2.430900      5.3599998E-02
 C   -3.355100      -2.092100      -1.005700    
 C    3.356400      -2.090600       1.005400    
 C   -2.162500      -2.813600     -0.9528000    
 C    2.164200      -2.812800      0.9522000    
 C   -2.548300     -0.6306000      0.7410000    
 C    2.549000     -0.6292000     -0.7409000    
 C   -1.355700      -1.352300      0.7938000    
 C    1.356700      -1.351400     -0.7938000    
 C   -5.040300       1.098400      6.8400003E-02
 C    5.037600       1.097700     -6.7599997E-02
 C   -6.295800       1.457500      0.5587000    
 C    6.293200       1.462400     -0.5589000    
 C   -4.074000       2.078300     -0.1588000    
 C    4.070500       2.079500      0.1592000    
 C   -6.585200       2.796400      0.8218000    
 C    6.580100       2.801900     -0.8221000    
 C   -4.363200       3.417200      0.1044000    
 C    4.357300       3.418900     -0.1040000    
 C   -5.618800       3.776300      0.5946000    
 C    5.612100       3.780200     -0.5946000    
 H   -2.004300      -3.665400      -1.610200    
 H    2.002300      -3.665000       1.607000    
 H   -2.679800      0.1964000       1.433500    
 H    2.680700      0.1978000      -1.433200    
 H  -0.6063000      -1.059100       1.524200    
 H   0.6055000      -1.061700      -1.522800    
 H   -5.569100     -0.8138000     -0.4098000    
 H    5.568800     -0.8131000      0.4083000    
 H   -7.057000      0.7031000      0.7409000    
 H    7.056100      0.7099000     -0.7415000    
 H   -3.095800       1.831200     -0.5619000    
 H    3.092600       1.831200      0.5627000    
 H   -5.201700      -1.942400      -2.021600    
 H   -4.191900      -3.271900      -2.537900    
 H    4.193600      -3.270200       2.537600    
 H    5.202700      -1.939900       2.021800    
 H   -7.562800       3.076100       1.203500    
 H    7.557000       3.083200      -1.204000    
 H   -3.612800       4.181100     -7.7399999E-02
 H    3.605600       4.181400      7.8000002E-02
 H   -5.844400       4.819000      0.7983000    
 H    5.835800       4.823200     -0.7984000    


%chk=000140444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000140444

0 1
O 0.000747 -2.766432 -0.000220
N -5.125712 -0.381947 0.416798
N 5.125292 -0.378133 -0.419556
N -4.732482 -2.729879 -1.039172
N 4.733485 -2.723879 1.040647
C -3.796047 -0.911102 0.289857
C 3.796060 -0.908520 -0.292242
C -1.231390 -2.066080 0.075295
C 1.232343 -2.065210 -0.076431
C -3.623196 -2.132388 -0.441697
C 3.624013 -2.128558 0.441567
C -2.327908 -2.708806 -0.528694
C 2.329124 -2.705881 0.529218
C -2.674981 -0.297239 0.890908
C 2.674718 -0.296736 -0.894887
C -1.382329 -0.851622 0.787491
C 1.382491 -0.851998 -0.790955
C -5.505323 0.956196 0.171436
C 5.503783 0.959949 -0.172071
C -6.750407 1.430199 0.677730
C 6.748731 1.435664 -0.677097
C -4.701203 1.837795 -0.606245
C 4.698544 1.839810 0.606411
C -7.179465 2.745289 0.406521
C 7.176565 2.750726 -0.403842
C -5.141532 3.152308 -0.864972
C 5.137695 3.154309 0.867238
C -6.379678 3.621252 -0.365194
C 6.375710 3.624949 0.368745
H -2.158646 -3.641716 -1.075849
H 2.160419 -3.637914 1.078033
H -2.825446 0.626560 1.459960
H 2.824696 0.626202 -1.465475
H -0.525014 -0.372250 1.266598
H 0.524926 -0.374322 -1.271303
H -5.780128 -0.933586 0.979277
H 5.779642 -0.928058 -0.983771
H -7.377147 0.763827 1.285271
H 7.376338 0.770638 -1.285218
H -3.746187 1.487345 -1.009536
H 3.743531 1.488047 1.008570
H -5.583532 -2.177195 -1.129337
H -4.621737 -3.556903 -1.618703
H 4.623454 -3.549830 1.621812
H 5.584543 -2.170857 1.128535
H -8.141176 3.088678 0.805310
H 8.138191 3.095464 -0.801677
H -4.510313 3.815515 -1.468174
H 4.505617 3.816170 1.471020
H -6.712717 4.643741 -0.570866
H 6.707838 4.647407 0.576036


