%chk=000150752.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150752

0 1
 O   -4.455700      -1.633600     -0.5386000    
 N   -1.662700       2.302200     -4.5899998E-02
 N    3.948300      0.1821000     -0.1370000    
 C  -0.4640000       1.498000      0.3215000    
 C  -0.6365000     -2.1400001E-02  2.6900001E-02
 C   0.8096000       2.117500     -0.3652000    
 C   -3.080300      0.2974000     -0.3583000    
 C   -2.898300       1.630600      0.3851000    
 C    1.977900       1.205600     -0.2416000    
 C   0.5688000     -0.8765000      0.1087000    
 C    1.771200     -0.1728000     -2.7400000E-02
 C   -1.830500     -0.5375000     -0.3120000    
 C    3.002000     -0.8052000      3.2699998E-02
 C    3.336800       1.405700     -0.3063000    
 C   -4.266400     -0.4690000      0.2297000    
 C   -1.620700       3.652400      0.5253000    
 C   0.6560000      -2.259400      0.3099000    
 C    3.106600      -2.182600      0.2312000    
 C    1.904700      -2.894900      0.3683000    
 C    5.380900     -2.1100000E-02 -0.1448000    
 C   -5.547700      -2.417400     -6.1999999E-02
 H  -0.3173000       1.564100       1.411500    
 H    1.061900       3.080600      9.2399999E-02
 H   0.6131000       2.292700      -1.430900    
 H   -3.287200      0.4948000      -1.419500    
 H   -3.766800       2.262600      0.1572000    
 H   -2.892800       1.474700       1.473200    
 H   -1.919600      -1.586800     -0.5787000    
 H    3.918000       2.305000     -0.4605000    
 H   -5.170500      0.1505000      0.1877000    
 H   -4.076000     -0.7382000       1.276400    
 H   -1.532200       3.635700       1.617500    
 H   -2.528900       4.208700      0.2654000    
 H  -0.7918000       4.236400      0.1152000    
 H  -0.2397000      -2.862200      0.4348000    
 H    4.065200      -2.686800      0.2798000    
 H    1.944400      -3.970300      0.5276000    
 H    5.673200     -0.4477000      0.8181000    
 H    5.627200     -0.7039000     -0.9619000    
 H    5.886900      0.9358000     -0.2954000    
 H   -5.362400      -2.744200      0.9657000    
 H   -5.639700      -3.300500     -0.6998000    
 H   -6.479400      -1.846300     -0.1158000    


%chk=000150752-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150752

0 1
O -4.581187 -1.613725 -0.634057
N -1.668103 2.294086 0.017185
N 4.043290 0.194258 -0.128412
C -0.440194 1.500500 0.309702
C -0.644979 -0.003141 0.009510
C 0.783918 2.107782 -0.467793
C -3.132728 0.312171 -0.330843
C -2.914583 1.620066 0.452306
C 2.001179 1.236877 -0.282473
C 0.576586 -0.843548 0.103182
C 1.807817 -0.160020 -0.022534
C -1.868325 -0.514186 -0.307822
C 3.076493 -0.804741 0.061725
C 3.380137 1.431953 -0.335924
C -4.324729 -0.471906 0.249254
C -1.599595 3.672410 0.546088
C 0.655840 -2.239527 0.325057
C 3.153155 -2.200464 0.279101
C 1.922599 -2.892079 0.404023
C 5.490386 -0.015941 -0.122405
C -5.662335 -2.461084 -0.140804
H -0.184763 1.571261 1.403574
H 0.974580 3.138518 -0.119622
H 0.494230 2.170372 -1.535690
H -3.388401 0.565009 -1.380495
H -3.756725 2.313849 0.268568
H -2.903278 1.393948 1.552571
H -1.976566 -1.575708 -0.563935
H 3.960931 2.337037 -0.509339
H -5.228081 0.179154 0.298666
H -4.092699 -0.829520 1.278904
H -1.454299 3.711654 1.656366
H -2.539734 4.199610 0.305801
H -0.777001 4.234052 0.074019
H -0.256184 -2.831441 0.460441
H 4.105381 -2.736761 0.351683
H 1.944499 -3.974048 0.579905
H 5.830754 -0.421274 0.849079
H 5.794513 -0.718365 -0.921345
H 6.001363 0.944999 -0.294111
H -5.425321 -2.883488 0.859697
H -5.771548 -3.281685 -0.867419
H -6.620694 -1.902114 -0.071184


