%chk=000057015.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057015

0 1
 O   0.2251000     -0.3318000       1.232000    
 O  -0.9373000      -1.995400      0.1455000    
 N    3.014600      -1.987300     -0.4380000    
 C    2.182700     -0.8356000     -9.0899996E-02
 C    1.402800      -1.131800       1.196900    
 C    3.018700      0.4270000      2.4900001E-02
 C    2.194400      -3.058700      -1.001900    
 C    3.742100      -2.465100      0.7371000    
 C   -2.083400      5.2800000E-02  0.8289000    
 C    1.430600      -2.579700      -2.224900    
 C    4.658600      -3.623700      0.3819000    
 C    4.206900      0.5453000     -0.6963000    
 C    2.598400       1.468700      0.8519000    
 C  -0.8931000     -0.8871000      0.6643000    
 C   -1.868500       1.431500      0.2186000    
 C   -3.399600     -0.5700000      0.3810000    
 C    4.974800       1.704900     -0.5902000    
 C    3.366200       2.628400      0.9579000    
 C    4.554400       2.746400      0.2367000    
 C   -2.500100       2.545400      0.7721000    
 C   -3.822100     -0.4324000     -0.9413000    
 C   -1.039800       1.580700     -0.8936000    
 C   -4.182100      -1.278600       1.293000    
 C   -2.303100       3.808200      0.2135000    
 C   -5.027000      -1.002800      -1.351500    
 C  -0.8430000       2.843500      -1.452100    
 C   -5.387100      -1.849100      0.8825000    
 C   -1.474600       3.957200     -0.8986000    
 C   -5.809500      -1.711100     -0.4397000    
 H    1.489000     -0.5694000     -0.8929000    
 H    1.978300     -0.8940000       2.100800    
 H    1.097200      -2.176900       1.311400    
 H    2.841000      -3.863600      -1.368400    
 H    1.503500      -3.515600     -0.2852000    
 H    4.373100      -1.669500       1.150500    
 H    3.104000      -2.825800       1.550900    
 H   -2.158300      0.2034000       1.917500    
 H   0.5387000      -1.997500      -1.982600    
 H    2.066000      -1.995300      -2.899800    
 H    1.078100      -3.448800      -2.792900    
 H    4.111800      -4.556900      0.2151000    
 H    5.265800      -3.402900     -0.5027000    
 H    5.350100      -3.811100       1.211300    
 H    4.556600     -0.2339000      -1.367400    
 H    1.681300       1.444600       1.426000    
 H    5.897400       1.799500      -1.155500    
 H    3.037700       3.441600       1.598700    
 H    5.151100       3.650300      0.3177000    
 H   -3.148600       2.442600       1.638200    
 H   -3.231700      9.2100002E-02  -1.685400    
 H  -0.5510000      0.7303000      -1.359100    
 H   -3.864000      -1.396000       2.325400    
 H   -2.795200       4.675400      0.6441000    
 H   -5.353900     -0.9001000      -2.382200    
 H  -0.2010000       2.959100      -2.320500    
 H   -5.996000      -2.401500       1.592100    
 H   -1.321900       4.940300      -1.334200    
 H   -6.747000      -2.156500     -0.7596000    


%chk=000057015-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057015

0 1
O -0.030552 -0.499206 1.082092
O -0.904736 -1.310655 -0.920906
N 3.099831 -1.940728 -0.507933
C 2.293023 -0.875503 0.143123
C 1.104110 -1.468513 0.965852
C 3.171312 0.095136 0.954960
C 2.484736 -2.491546 -1.747145
C 3.649254 -2.959119 0.428060
C -2.060210 0.526955 0.306725
C 2.647937 -1.552254 -2.958493
C 4.959423 -3.590960 -0.080941
C 4.515701 0.321015 0.563175
C 2.654009 0.825316 2.055969
C -0.968988 -0.516219 0.047153
C -2.187580 1.554133 -0.831529
C -3.388433 -0.196106 0.613254
C 5.327382 1.242734 1.259672
C 3.466043 1.747743 2.755005
C 4.806802 1.960149 2.362028
C -2.541771 2.884631 -0.489889
C -4.106270 -0.882392 -0.397794
C -2.006696 1.224341 -2.198868
C -3.899351 -0.183846 1.934442
C -2.718056 3.866184 -1.489144
C -5.316553 -1.540735 -0.089802
C -2.178319 2.208750 -3.198718
C -5.113233 -0.839622 2.242761
C -2.536602 3.530713 -2.850916
C -5.826006 -1.520407 1.230096
H 1.833758 -0.293522 -0.681725
H 1.378085 -1.680124 2.011080
H 0.724399 -2.378664 0.469766
H 2.988150 -3.449451 -1.969448
H 1.402386 -2.722160 -1.607322
H 3.857325 -2.448402 1.387010
H 2.910625 -3.769890 0.645631
H -1.756824 1.065364 1.220665
H 2.144333 -0.582168 -2.794355
H 3.716786 -1.354789 -3.151993
H 2.198726 -2.007505 -3.860894
H 4.818585 -4.119931 -1.041041
H 5.726235 -2.810947 -0.230857
H 5.342174 -4.325661 0.651990
H 4.903590 -0.246782 -0.289329
H 1.610628 0.691133 2.359607
H 6.364774 1.402175 0.942992
H 3.049258 2.303793 3.602860
H 5.435715 2.675374 2.904364
H -2.685790 3.151205 0.564574
H -3.718470 -0.902093 -1.421302
H -1.719965 0.204804 -2.476773
H -3.346004 0.338689 2.724603
H -2.991878 4.888881 -1.206314
H -5.863745 -2.068522 -0.879063
H -2.031125 1.940887 -4.251234
H -5.499152 -0.819264 3.268192
H -2.669459 4.290845 -3.628899
H -6.767225 -2.029564 1.465927


