%chk=000152034.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152034

0 1
 O   0.4786000      -2.030500      0.3928000    
 O    1.133600       2.471100     -0.7707000    
 N   -1.336000     -0.5810000      0.5394000    
 N   0.8331000      0.2093000     -0.1932000    
 N   -1.753100       2.836100     -0.1078000    
 N   -3.061000       1.173400      0.5959000    
 C    2.226700     -0.1120000     -0.4822000    
 C    3.129600      5.4400001E-02  0.7378000    
 C   -2.252800      -1.615000       1.003300    
 C    4.622000     -0.2430000      0.4900000    
 C   -2.965000      -2.324600     -0.1538000    
 C   1.8700000E-02 -0.8907000      0.2598000    
 C   -1.789200      0.7199000      0.3692000    
 C  -0.9647000       1.722200     -6.4000003E-02
 C   0.4160000       1.553800     -0.3825000    
 C    5.153600      0.6706000     -0.6179000    
 C    4.872400      -1.704700      0.1171000    
 C   -1.940700      -3.011700      -1.057400    
 C   -3.815800      -1.352500     -0.9742000    
 C   -3.006000       2.455200      0.2982000    
 H    2.558500      0.5447000      -1.292600    
 H    2.286700      -1.136000     -0.8648000    
 H    2.769600     -0.5939000       1.547200    
 H    3.034200       1.080700       1.116300    
 H   -2.982200      -1.173100       1.693100    
 H   -1.684900      -2.351000       1.585600    
 H    5.167200     -2.4000000E-02   1.416500    
 H   -3.625000      -3.090500      0.2716000    
 H    4.757900      0.4062000      -1.603600    
 H    4.911600       1.719100     -0.4152000    
 H    6.244900      0.5906000     -0.6781000    
 H    4.457400      -2.374800      0.8771000    
 H    5.947700      -1.902500      4.9199998E-02
 H    4.427900      -1.966400     -0.8483000    
 H   -2.460600      -3.625500      -1.802500    
 H   -1.294900      -3.686400     -0.4869000    
 H   -1.323000      -2.301900      -1.615500    
 H   -3.214000     -0.6355000      -1.539900    
 H   -4.523200     -0.8123000     -0.3376000    
 H   -4.409000      -1.910800      -1.708000    
 H   -1.470200       3.766400     -0.3864000    
 H   -3.826400       3.156400      0.3535000    


%chk=000152034-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152034

0 1
O 0.497104 -1.984103 0.413281
O 1.258918 2.495744 -0.871348
N -1.344962 -0.532579 0.447155
N 0.842588 0.235875 -0.272791
N -1.711726 2.958964 -0.113727
N -3.058173 1.271120 0.609800
C 2.270346 -0.100054 -0.540429
C 3.136231 0.042735 0.732434
C -2.244518 -1.606004 0.955103
C 4.647659 -0.247852 0.509542
C -3.014391 -2.399134 -0.139232
C 0.021895 -0.830746 0.209459
C -1.787862 0.776704 0.314457
C -0.933950 1.797184 -0.129598
C 0.452353 1.602572 -0.464132
C 5.306515 0.764993 -0.459426
C 4.906126 -1.705734 0.054985
C -2.073326 -3.175083 -1.089719
C -4.005423 -1.518857 -0.936095
C -2.970450 2.597113 0.335046
H 2.611062 0.596760 -1.322924
H 2.296153 -1.134787 -0.916040
H 2.744184 -0.651021 1.500899
H 3.023023 1.074698 1.118638
H -2.965047 -1.116934 1.633995
H -1.606718 -2.298737 1.530131
H 5.130059 -0.119250 1.501845
H -3.606856 -3.142452 0.437607
H 4.926865 0.645481 -1.491483
H 5.108296 1.807005 -0.146818
H 6.402217 0.618522 -0.492341
H 4.415823 -2.429862 0.731675
H 5.989892 -1.925677 0.042406
H 4.521665 -1.885622 -0.966582
H -2.662368 -3.816957 -1.771029
H -1.360109 -3.807358 -0.533646
H -1.481498 -2.479481 -1.713066
H -3.465610 -0.802400 -1.583033
H -4.661522 -0.933542 -0.268635
H -4.635680 -2.149609 -1.590275
H -1.380404 3.884416 -0.385916
H -3.788182 3.303747 0.450329


