%chk=000018925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018925

0 1
 O   -3.252700     -0.9794000     -0.8419000    
 O   -5.438000      -2.395000      0.1424000    
 O   -9.150100       1.120200      0.2660000    
 N    2.806400     -0.5756000      0.3132000    
 N    5.607700     -6.6299997E-02  8.3800003E-02
 C    3.768700      -1.345900       1.110900    
 C    3.395800     -0.2344000     -0.9872000    
 C    5.047600     -0.5417000       1.355100    
 C    4.663300      0.6062000     -0.8135000    
 C    1.568000      -1.332100      0.1327000    
 C   0.4075000     -0.3861000     -0.1707000    
 C    6.963000      0.2807000      5.1100001E-02
 C  -0.8992000      -1.156100     -0.3542000    
 C   -2.055600     -0.2267000     -0.6989000    
 C    7.694300      0.1259000      -1.126500    
 C    7.582800      0.7809000       1.196400    
 C    9.045400      0.4714000      -1.158900    
 C    8.933700       1.126700       1.163900    
 C    9.665000      0.9719000     -1.3700000E-02
 C   -4.426200     -0.3367000     -0.5446000    
 C   -5.519600      -1.049200     -5.2200001E-02
 C   -4.522000       1.041200     -0.7390000    
 C   -6.708700     -0.3837000      0.2458000    
 C   -6.804600      0.9942000      5.1100001E-02
 C   -5.711200       1.706600     -0.4413000    
 C   -8.044000       1.688300      0.3626000    
 C   -6.600500      -3.048300      0.6487000    
 C   -8.016600       3.143200      0.8187000    
 H    4.016900      -2.291300      0.6098000    
 H    3.336500      -1.596900       2.087300    
 H    2.698100      0.3484000      -1.597600    
 H    3.639800      -1.143900      -1.553300    
 H    5.758800      -1.194100       1.877600    
 H    4.822300      0.3119000       2.007500    
 H    4.410500       1.590900     -0.3997000    
 H    5.102200      0.7743000      -1.803700    
 H    1.314400      -1.861800       1.060700    
 H    1.668600      -2.100100     -0.6452000    
 H   0.6006000      0.1898000      -1.082500    
 H   0.2942000      0.3367000      0.6474000    
 H  -0.7915000      -1.906300      -1.147600    
 H   -1.141900      -1.716000      0.5576000    
 H   -1.846600      0.2929000      -1.641400    
 H   -2.138300      0.5105000      0.1106000    
 H    7.231900     -0.2734000      -2.025400    
 H    7.044000      0.9320000       2.127200    
 H    9.615700      0.3486000      -2.075000    
 H    9.415700       1.519900       2.054300    
 H    10.71680       1.241300     -3.9099999E-02
 H   -3.707400       1.629700      -1.150300    
 H   -7.585700     -0.8888000      0.6366000    
 H   -5.764800       2.777000     -0.6202000    
 H   -6.357500      -4.112200      0.7394000    
 H   -7.442000      -2.974000     -4.8700001E-02
 H   -6.857000      -2.695300       1.653400    
 H   -8.075200       3.800600     -5.2099999E-02
 H   -7.110800       3.352900       1.393800    
 H   -8.872500       3.327500       1.474900    


%chk=000018925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018925

0 1
O -3.292102 -0.802437 0.313677
O -5.443641 -2.329005 0.486564
O -9.490896 0.790275 -0.214673
N 2.975195 -0.594423 0.574424
N 5.786780 -0.114849 0.017963
C 4.025485 -1.539755 1.026822
C 3.403322 0.037678 -0.697596
C 5.370218 -0.823002 1.242982
C 4.731936 0.785886 -0.502024
C 1.647044 -1.251315 0.487127
C 0.478471 -0.253954 0.345392
C 7.153870 0.213375 -0.173144
C -0.888353 -0.972665 0.415132
C -2.053803 -0.000743 0.224528
C 7.603648 0.783123 -1.404775
C 8.136923 -0.049343 0.829596
C 8.965946 1.068302 -1.617996
C 9.501048 0.231328 0.599525
C 9.933223 0.793869 -0.621606
C -4.508178 -0.146813 0.153050
C -5.681435 -0.973693 0.245518
C -4.653480 1.239245 -0.087984
C -6.949414 -0.392392 0.093774
C -7.093999 1.004494 -0.149944
C -5.935055 1.810898 -0.238131
C -8.477976 1.551101 -0.302384
C -6.619650 -3.199475 0.590040
C -8.659658 3.044028 -0.569373
H 4.177176 -2.365482 0.284838
H 3.706374 -1.994246 1.983251
H 2.637512 0.764027 -1.021915
H 3.524625 -0.726578 -1.508541
H 6.126932 -1.585612 1.495869
H 5.277321 -0.123496 2.106568
H 4.562641 1.626230 0.209992
H 5.045858 1.217942 -1.464467
H 1.503147 -1.826886 1.422592
H 1.605824 -1.990372 -0.356208
H 0.554214 0.292762 -0.615928
H 0.563830 0.498581 1.153409
H -0.950713 -1.756802 -0.363598
H -1.004588 -1.479703 1.391772
H -2.003803 0.494019 -0.767945
H -2.059433 0.779265 1.014039
H 6.892666 0.975276 -2.214674
H 7.841956 -0.451652 1.802924
H 9.275973 1.497178 -2.578317
H 10.228310 0.018941 1.392222
H 10.991770 1.014209 -0.793805
H -3.769131 1.878409 -0.158947
H -7.869014 -0.982363 0.154772
H -6.018259 2.886181 -0.423625
H -6.213094 -4.203518 0.778863
H -7.203104 -3.199852 -0.350818
H -7.273093 -2.893289 1.429590
H -8.167749 3.341558 -1.514209
H -8.218063 3.652193 0.241770
H -9.735555 3.264341 -0.639859


