%chk=000059314.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059314

0 1
 O    1.804300      -1.373400     -0.4210000    
 O   -1.134700      -1.674600      -1.090500    
 O    4.208900       2.644300       1.281100    
 N   -2.356900      6.3000001E-02 -0.1614000    
 N    4.537600       3.059800     -0.9552000    
 C   -2.634900       1.497500     -0.1741000    
 C   -3.428600     -0.7708000      0.3691000    
 C   -1.176400     -0.5373000     -0.6141000    
 C   -2.159500       2.117500       1.144800    
 C   -4.143300       1.713800     -0.3350000    
 C   -1.889500       2.147700      -1.345300    
 C   -4.691700     -0.5712000     -0.4764000    
 C   -3.706500     -0.3655000       1.820500    
 C   -3.000700      -2.241800      0.3139000    
 C   9.3599997E-02  0.3008000     -0.4910000    
 C    1.174800     -0.3660000      0.3698000    
 C    2.221800      0.6681000      0.8140000    
 C    2.911500       1.393400     -0.3439000    
 C    2.472400      -2.325200      0.3922000    
 C    3.121000      -3.368800     -0.5041000    
 C    3.931900       2.422000      0.1061000    
 C    3.845100      -4.433100      0.3006000    
 H   -1.807300       3.144700      0.9879000    
 H   -1.349500       1.563200       1.629000    
 H   -2.957700       2.210500       1.887200    
 H   -4.239600       2.817300     -0.3666000    
 H   -4.549300       1.507800      -1.330600    
 H   -4.807600       1.566600      0.5135000    
 H   -2.425800       3.051700      -1.666100    
 H   -1.853300       1.502700      -2.231100    
 H  -0.8883000       2.527300      -1.132400    
 H   -5.545700     -4.0500000E-02 -4.5400001E-02
 H   -5.171300      -1.564800     -0.5384000    
 H   -4.498400     -0.3900000      -1.540900    
 H   -4.353500      -1.119900       2.288700    
 H   -2.779600     -0.3580000       2.407200    
 H   -4.222800      0.5716000       2.006000    
 H   -3.752200      -2.847500      0.8421000    
 H   -2.068200      -2.452200      0.8517000    
 H   -3.004100      -2.665500     -0.6971000    
 H   0.4517000      0.4824000      -1.510700    
 H  -8.7899998E-02   1.243400      5.4000001E-03
 H   0.7012000     -0.8166000       1.252100    
 H    2.989000      0.1965000       1.437600    
 H    1.735900       1.410800       1.460600    
 H    2.175600       1.924100     -0.9583000    
 H    3.425900      0.6693000     -0.9867000    
 H    3.246800      -1.848200       1.000200    
 H    1.749900      -2.810700       1.059100    
 H    3.822500      -2.879200      -1.190400    
 H    2.357100      -3.836400      -1.136900    
 H    4.639600      -3.991400      0.9106000    
 H    3.153800      -4.960500      0.9656000    
 H    4.300900      -5.169800     -0.3684000    
 H    5.248300       3.767500     -0.8019000    
 H    4.299000       2.854000      -1.920000    


%chk=000059314-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059314

0 1
O 2.412038 -1.401494 -0.575546
O -1.501107 -1.911973 0.966030
O 1.201094 2.111551 3.121312
N -2.172789 0.230589 0.250943
N 3.413445 2.418774 2.498795
C -2.545110 0.944213 -1.058847
C -2.919804 0.492224 1.579829
C -1.312173 -0.888557 0.227648
C -1.874903 2.344127 -1.159969
C -4.095309 1.063317 -1.218724
C -2.132706 0.115768 -2.319433
C -4.198409 -0.385953 1.693740
C -3.240323 2.005681 1.770327
C -1.994020 0.166627 2.794047
C -0.002173 -0.840404 -0.586470
C 1.199948 -1.334085 0.271849
C 1.558713 -0.432672 1.464982
C 1.968278 1.007556 1.067426
C 2.519241 -2.622167 -1.384791
C 3.856302 -2.567858 -2.132985
C 2.148805 1.884282 2.307782
C 4.085598 -3.820391 -3.006724
H -2.059544 2.778228 -2.160708
H -0.781972 2.260076 -1.020053
H -2.259415 3.047445 -0.406328
H -4.300558 1.630470 -2.145265
H -4.548172 0.061620 -1.323586
H -4.600485 1.583841 -0.396494
H -2.686465 0.520705 -3.185252
H -2.411983 -0.947469 -2.211121
H -1.063751 0.184204 -2.564224
H -4.962059 -0.129196 0.942355
H -4.650399 -0.253790 2.694952
H -3.919575 -1.446020 1.574235
H -3.754078 2.113336 2.742546
H -2.306642 2.592828 1.820957
H -3.897483 2.450040 1.009654
H -2.524336 0.476353 3.712853
H -1.054683 0.746435 2.747190
H -1.768752 -0.905628 2.873551
H -0.084045 -1.521783 -1.453349
H 0.220378 0.167277 -0.968985
H 0.952066 -2.344664 0.656581
H 2.394314 -0.911559 2.009083
H 0.701199 -0.389485 2.157154
H 1.158864 1.472907 0.474184
H 2.873641 0.976348 0.436080
H 2.473222 -3.516447 -0.723375
H 1.676875 -2.692433 -2.109644
H 4.670206 -2.463777 -1.390793
H 3.874809 -1.655015 -2.758162
H 4.095676 -4.741317 -2.393810
H 3.290666 -3.931712 -3.768307
H 5.052560 -3.759499 -3.537300
H 3.580038 3.001778 3.319219
H 4.180545 2.227150 1.857640


