%chk=000050900.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050900

0 1
 O  -0.6313000      -1.722100      0.7252000    
 O   -1.551400      -2.557000      -1.212800    
 N    1.976900     -0.7092000      0.4450000    
 N   -5.752200       1.942100      0.6672000    
 C    2.606100      0.2017000     -0.5180000    
 C    3.487100       1.182300      0.2867000    
 C    1.548800      0.9305000      -1.373900    
 C    4.863700      0.6461000      0.7328000    
 C   0.8955000       2.173000     -0.7301000    
 C    1.584700      -1.947800     -0.2052000    
 C    5.686300      0.2518000     -0.4978000    
 C    5.644100       1.658600       1.571400    
 C   0.1658000       1.839000      0.5715000    
 C  -8.3099999E-02   2.811600      -1.720800    
 C   0.4706000      -2.613200      0.6038000    
 C    2.797800      -2.865200     -0.3616000    
 C   -1.573000      -1.799800     -0.2550000    
 C   -2.664100     -0.8220000     -1.4300000E-02
 C   -3.358400     -0.2721000      -1.092000    
 C   -2.995200     -0.4536000       1.289700    
 C   -4.383700      0.6461000     -0.8658000    
 C   -4.020500      0.4648000       1.515900    
 C   -4.714600       1.014600      0.4382000    
 H    3.235700     -0.3464000      -1.221500    
 H    2.963200       1.549800       1.176300    
 H    3.682100       2.067300     -0.3344000    
 H   0.7665000      0.2445000      -1.718700    
 H    2.055600       1.267800      -2.289500    
 H    4.720200     -0.2491000       1.349800    
 H    1.657900       2.929400     -0.5134000    
 H    2.605400     -0.9132000       1.220300    
 H    1.175700      -1.759500      -1.204000    
 H    5.729800       1.065000      -1.230300    
 H    6.715800      1.0200000E-02 -0.2095000    
 H    5.289700     -0.6391000     -0.9907000    
 H    5.077200       1.936500       2.466100    
 H    5.847000       2.571900       1.002100    
 H    6.602200       1.241300       1.898700    
 H  -0.5716000       1.052000      0.4107000    
 H  -0.3707000       2.719200      0.9438000    
 H   0.8348000       1.523300       1.372900    
 H  -0.8971000       2.123900      -1.974900    
 H   0.4282000       3.090600      -2.648200    
 H  -0.5272000       3.719700      -1.299400    
 H   0.8156000      -2.841700       1.619500    
 H   0.1682000      -3.569800      0.1597000    
 H    3.270100      -3.074600      0.6050000    
 H    3.559000      -2.450100      -1.027700    
 H    2.490900      -3.826500     -0.7895000    
 H   -3.109500     -0.5460000      -2.113900    
 H   -2.478700     -0.8743000       2.148300    
 H   -4.916600       1.068300      -1.714000    
 H   -4.270900      0.7422000       2.536600    
 H   -5.990800       2.211500       1.612300    
 H   -6.254200       2.343000     -0.1138000    


%chk=000050900-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050900

0 1
O -0.789456 -1.539725 0.949045
O -1.473608 -2.647811 -0.992482
N 2.093633 -0.493206 0.482617
N -6.518597 1.274918 0.247901
C 2.735421 0.422485 -0.506581
C 3.883702 1.202596 0.184487
C 1.708139 1.366123 -1.201332
C 5.174311 0.379903 0.459603
C 1.142585 2.564713 -0.389206
C 1.516096 -1.746438 -0.061479
C 5.951946 0.069193 -0.842410
C 6.084093 1.126132 1.464506
C 0.131958 2.128769 0.698544
C 0.486337 3.585120 -1.352644
C 0.464105 -2.332270 0.903025
C 2.580923 -2.841712 -0.361004
C -1.704338 -1.799922 -0.086390
C -2.932656 -0.985829 0.033179
C -3.964188 -1.168662 -0.928329
C -3.122661 -0.028354 1.067271
C -5.150855 -0.425807 -0.863480
C -4.306581 0.719882 1.141845
C -5.343400 0.534682 0.176670
H 3.191623 -0.178059 -1.333490
H 3.499504 1.610251 1.142232
H 4.154897 2.076592 -0.442044
H 0.855490 0.757259 -1.568621
H 2.212178 1.769213 -2.106243
H 4.883694 -0.590275 0.920109
H 1.990807 3.077160 0.111041
H 2.725167 -0.695328 1.271549
H 0.999207 -1.496066 -1.005305
H 6.298490 1.007421 -1.317882
H 6.842511 -0.552658 -0.634078
H 5.329417 -0.471825 -1.578446
H 5.566514 1.295709 2.427331
H 6.378890 2.115039 1.062493
H 7.010082 0.556768 1.668999
H -0.780536 1.713664 0.228534
H -0.170245 2.992222 1.323108
H 0.555996 1.336313 1.336754
H -0.338891 3.109367 -1.917665
H 1.214777 3.981546 -2.085884
H 0.060923 4.440976 -0.795067
H 0.829642 -2.314235 1.944166
H 0.213293 -3.364893 0.600064
H 3.018190 -3.234658 0.578379
H 3.404081 -2.422858 -0.968326
H 2.143748 -3.690225 -0.918595
H -3.809026 -1.906587 -1.722694
H -2.328740 0.117404 1.805303
H -5.937880 -0.579386 -1.611842
H -4.439412 1.455751 1.944184
H -6.659641 1.960811 0.984085
H -7.258261 1.146104 -0.436707


