%chk=000134558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134558

0 1
 O    2.765000       1.186200      6.9100000E-02
 O   -6.996500      0.6577000      4.7899999E-02
 O    3.293000      -1.624300     -0.2872000    
 O   -2.685700      -1.738000      0.4182000    
 N   -4.333500     -0.2268000     -0.2079000    
 N  -0.6664000     -0.1593000      0.1355000    
 C    1.763900      0.1761000      0.2551000    
 C   -5.424200      -1.182900     -1.7999999E-02
 C   -4.751300       1.057600     -0.7796000    
 C   0.4125000      0.7996000     -6.1500002E-02
 C   -1.957400      0.4379000     -0.1781000    
 C    2.054600      -1.009200     -0.6560000    
 C   -6.578900     -0.5291000      0.7275000    
 C   -5.938300       1.617900     -6.0000001E-03
 C   -3.017500     -0.6121000      3.8400002E-02
 C    4.031200      0.6630000      6.6100001E-02
 C    4.286500     -0.7005000     -9.5700003E-02
 C    5.089500       1.558300      0.2235000    
 C    5.597700      -1.175400     -5.6000002E-02
 C    6.401200       1.084300      0.2493000    
 C    6.654600     -0.2811000      0.1152000    
 H    1.794700     -0.1327000       1.309700    
 H   0.4162000       1.168500      -1.095600    
 H   0.2674000       1.680000      0.5778000    
 H   -5.080000      -2.073400      0.5164000    
 H   -5.746000      -1.490300      -1.020000    
 H   -5.041700      0.8516000      -1.816600    
 H   -3.941100       1.788100     -0.7972000    
 H   -2.158000       1.289900      0.4805000    
 H   -1.982700      0.7533000      -1.226500    
 H    1.285000      -1.782900     -0.5734000    
 H    2.118900     -0.7083000      -1.709800    
 H   -7.433700      -1.211200      0.7701000    
 H   -6.298900     -0.2765000       1.757200    
 H   -5.652600       1.898000       1.014900    
 H   -6.322300       2.513600     -0.5041000    
 H  -0.6613000     -0.4790000       1.104200    
 H    4.900500       2.622300      0.3373000    
 H    5.804600      -2.236100     -0.1686000    
 H    7.226400       1.778700      0.3784000    
 H    7.676700     -0.6478000      0.1398000    


%chk=000134558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134558

0 1
O 2.775992 1.079969 0.430079
O -7.093028 0.713616 0.055309
O 3.419329 -1.434722 -0.922604
O -2.793784 -1.411436 1.145410
N -4.409658 -0.311436 -0.114758
N -0.691928 -0.192123 -0.007003
C 1.753386 0.034473 0.165272
C -5.498053 -1.153402 0.436444
C -4.871949 0.720045 -1.066969
C 0.413784 0.774230 0.057768
C -2.003641 0.365396 -0.338120
C 2.127632 -0.736398 -1.105926
C -6.592962 -0.259939 1.046447
C -5.992027 1.564361 -0.416332
C -3.100491 -0.526459 0.282140
C 4.107417 0.620965 0.286570
C 4.418745 -0.608898 -0.358540
C 5.141404 1.423249 0.810502
C 5.758986 -1.037508 -0.445931
C 6.483714 0.997762 0.709822
C 6.791637 -0.238384 0.090336
H 1.747183 -0.667614 1.025782
H 0.420100 1.385205 -0.866071
H 0.344113 1.488571 0.913906
H -5.055809 -1.824643 1.191218
H -5.930269 -1.763834 -0.381122
H -5.270617 0.225059 -1.975391
H -4.041119 1.377836 -1.367014
H -2.147386 1.402275 0.062979
H -2.134367 0.430288 -1.438291
H 1.383817 -1.516973 -1.321043
H 2.208664 -0.037843 -1.962911
H -7.471987 -0.855583 1.340529
H -6.194510 0.278645 1.932742
H -5.573866 2.148786 0.432516
H -6.442340 2.251374 -1.151505
H -0.770219 -0.823685 0.804878
H 4.873730 2.366044 1.298235
H 5.969186 -1.989835 -0.942997
H 7.282618 1.624457 1.119538
H 7.830671 -0.576191 0.018409


