%chk=000063579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063579

0 1
 O    2.075800       2.630500     -0.8602000    
 N    1.848700      0.3229000     -0.4419000    
 N   -3.228700      0.1205000      0.7154000    
 N    3.618700     -0.8202000      0.6846000    
 N   -4.147000      0.9962000      -1.109400    
 C   0.6205000      0.2547000      -1.191100    
 C    2.442400     -0.8207000      0.1352000    
 C   -1.782600      0.3410000      -1.259800    
 C    2.488700       1.578500     -0.3777000    
 C    3.813800       1.583300      0.2777000    
 C  -0.5934000      0.4075000     -0.5338000    
 C   -3.049200      0.4972000     -0.5867000    
 C    4.333900      0.3793000      0.7530000    
 C    1.689900      -2.096100      0.2123000    
 C   0.6656000      3.6699999E-02  -2.562000    
 C   -4.528600      0.3946000       1.055300    
 C   -1.747700      0.1223000      -2.636900    
 C   -5.080700      0.9405000     -0.1002000    
 C  -0.5236000     -2.9700000E-02  -3.288000    
 C    4.547100       2.770900      0.3897000    
 C    5.602300      0.3758000       1.345400    
 C   0.8508000      -2.338000       1.294600    
 C    1.828900      -3.039200     -0.8002000    
 C   -5.247000      0.2173000       2.238200    
 C   -6.428300       1.338600     -9.3400002E-02
 C    5.809000       2.753400      0.9823000    
 C    6.337500       1.556400       1.458800    
 C   -6.586800      0.6191000       2.227200    
 C   -7.168900       1.170000       1.083200    
 C   0.1421000      -3.537200       1.365200    
 C    1.120100      -4.238500     -0.7295000    
 C   0.2768000      -4.487600      0.3531000    
 H  -0.5944000      0.5925000      0.5379000    
 H    1.614600     -8.3999999E-02  -3.077200    
 H   -2.662800      6.3500002E-02  -3.221400    
 H   -2.540200     -0.3006000       1.325200    
 H  -0.4961000     -0.2012000      -4.360100    
 H    4.156000       3.714700      2.0099999E-02
 H    6.025000     -0.5506000       1.727400    
 H   0.7388000      -1.603200       2.087300    
 H    2.483300      -2.853900      -1.647700    
 H   -4.793000     -0.2106000       3.124800    
 H   -6.889700       1.767600     -0.9771000    
 H    6.380500       3.672800       1.070400    
 H    7.320300       1.541600       1.920600    
 H   -7.185700      0.4999000       3.126700    
 H   -8.212600       1.472800       1.105400    
 H  -0.5153000      -3.730700       2.207700    
 H    1.224600      -4.978200      -1.517800    
 H  -0.2755000      -5.421200      0.4078000    


%chk=000063579-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063579

0 1
O 2.792279 2.226064 -1.861655
N 2.044635 0.294193 -0.720236
N -3.058461 0.170961 0.735020
N 3.301401 -0.630565 1.125786
N -4.149710 0.739078 -1.188727
C 0.777801 0.365580 -1.437240
C 2.295462 -0.705149 0.261678
C -1.671329 0.470185 -1.365495
C 2.980768 1.383498 -0.940232
C 4.098604 1.430459 0.016579
C -0.422366 0.405481 -0.697120
C -2.946326 0.467498 -0.636814
C 4.196278 0.444995 1.047718
C 1.434559 -1.925179 0.334106
C 0.757545 0.435957 -2.847465
C -4.412649 0.257010 1.082844
C -1.691961 0.544202 -2.785039
C -5.081566 0.617145 -0.139906
C -0.486364 0.533731 -3.511642
C 5.051220 2.479507 -0.062796
C 5.252308 0.532922 1.997764
C 1.168694 -2.477182 1.615692
C 0.947388 -2.594558 -0.820143
C -5.104643 0.061407 2.295409
C -6.485049 0.794150 -0.149845
C 6.089276 2.554996 0.880323
C 6.185468 1.579050 1.913682
C -6.504404 0.241066 2.261529
C -7.183256 0.602249 1.059289
C 0.403127 -3.654727 1.743575
C 0.195427 -3.781084 -0.689803
C -0.090522 -4.309721 0.590483
H -0.362720 0.396505 0.396794
H 1.694746 0.435929 -3.408564
H -2.662701 0.612220 -3.285007
H -2.300283 -0.119850 1.349055
H -0.509304 0.599613 -4.604243
H 4.944781 3.217817 -0.864073
H 5.313479 -0.235968 2.773673
H 1.588098 -1.979385 2.495427
H 1.164283 -2.203141 -1.818160
H -4.593198 -0.213599 3.223783
H -6.999122 1.071354 -1.074924
H 6.825459 3.363539 0.823616
H 6.998123 1.642833 2.645643
H -7.084438 0.101326 3.180401
H -8.270649 0.732169 1.081739
H 0.199651 -4.066262 2.738308
H -0.168043 -4.291561 -1.588007
H -0.683895 -5.225558 0.687619


