%chk=000034507.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034507

0 1
 O    3.634500      0.3856000       1.040400    
 O    4.544600      -2.060500     -0.8257000    
 O    5.474500      0.1964000      -2.039900    
 O    5.325800       2.557000       1.673100    
 N    1.530000     -0.4534000      0.3320000    
 N  -0.3576000      0.7122000      9.4499998E-02
 N   -3.080500     -0.6361000      0.2083000    
 N   0.6064000      -2.679300      0.6400000    
 N   -1.832500      -2.648100      0.5561000    
 C    3.626700     -0.9741000     -0.9373000    
 C    2.964300     -0.7327000      0.4202000    
 C    4.351700      0.3332000      -1.195600    
 C    4.740100      0.7694000      0.2065000    
 C    4.983000       2.262900      0.3303000    
 C   0.5094000      -1.356900      0.4360000    
 C   0.9572000      0.7753000      0.1279000    
 C  -0.6511000     -0.6146000      0.2857000    
 C   -1.854800      -1.309000      0.3518000    
 C   -4.298200      -1.443600      1.0800000E-02
 C   -3.265100      0.7610000     -1.1200000E-02
 C  -0.6211000      -3.241300      0.6856000    
 C   -4.359200      -1.914000      -1.436300    
 C   -5.522800     -0.6152000      0.3772000    
 C   -3.313700       1.246800      -1.309500    
 C   -3.394000       1.610800       1.077500    
 C   -3.495400       2.613000      -1.523900    
 C   -3.575800       2.977000      0.8630000    
 C   -3.626500       3.478100     -0.4376000    
 H    2.927900      -1.224600      -1.741900    
 H    3.076900      -1.588500       1.095900    
 H    3.652300       1.049900      -1.643300    
 H    5.624700      0.2267000      0.5644000    
 H    4.085700       2.839100      8.1799999E-02
 H    5.803200       2.590600     -0.3145000    
 H    4.026600      -2.857800     -0.6214000    
 H    1.539700       1.678300      6.0000001E-03
 H    5.897200       1.068500      -2.114100    
 H   -4.284800      -2.315900      0.6763000    
 H    4.590400       2.259600       2.235800    
 H  -0.6412000      -4.313800      0.8476000    
 H   -5.159900      -2.654100      -1.549700    
 H   -4.585000      -1.105400      -2.136600    
 H   -3.428200      -2.390400      -1.759900    
 H   -5.467100     -0.2266000       1.399800    
 H   -6.409900      -1.260500      0.3457000    
 H   -5.736700      0.2066000     -0.3139000    
 H   -3.180400      0.5971000      -2.168300    
 H   -3.352700       1.230000       2.094300    
 H   -3.526900       3.004500      -2.536600    
 H   -3.676400       3.650700       1.708800    
 H   -3.765900       4.542200     -0.6046000    


%chk=000034507-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034507

0 1
O 3.777114 0.713132 1.156793
O 4.837720 -2.086745 0.778137
O 5.380505 -1.057360 -1.621860
O 4.864496 3.240376 0.231364
N 1.616457 -0.249068 0.770500
N -0.333987 0.952973 0.610643
N -3.040063 -0.585971 -0.135152
N 0.751933 -2.518947 0.256149
N -1.659173 -2.508026 -0.177383
C 3.720684 -1.445517 0.092006
C 3.029719 -0.547124 1.134426
C 4.256612 -0.416635 -0.936764
C 4.664597 0.789598 -0.053806
C 4.461039 2.170397 -0.680477
C 0.612889 -1.171423 0.438654
C 0.980617 1.002463 0.874552
C -0.591526 -0.407236 0.334121
C -1.783101 -1.142822 0.002582
C -4.221380 -1.464316 -0.458989
C -3.236875 0.852617 -0.082188
C -0.443495 -3.105287 -0.043691
C -4.655092 -1.294801 -1.932905
C -5.389804 -1.220960 0.518532
C -3.079487 1.627167 -1.255038
C -3.599689 1.475725 1.133425
C -3.281740 3.023743 -1.209688
C -3.803251 2.871728 1.176123
C -3.644823 3.648976 0.005352
H 3.033179 -2.190986 -0.343091
H 3.076349 -0.996203 2.140317
H 3.456616 -0.135273 -1.652253
H 5.705085 0.666762 0.300129
H 3.400255 2.283920 -0.993260
H 5.109607 2.289973 -1.567782
H 5.520637 -2.298949 0.087523
H 1.531903 1.896523 1.148155
H 5.733503 -0.479160 -2.340655
H -3.836287 -2.488794 -0.323496
H 4.407645 3.088171 1.098646
H -0.424319 -4.188379 -0.199150
H -5.471493 -2.003669 -2.162628
H -5.025595 -0.273158 -2.133099
H -3.813658 -1.508943 -2.615306
H -5.071866 -1.372470 1.565428
H -6.200124 -1.939935 0.299760
H -5.804549 -0.201762 0.421660
H -2.783501 1.135781 -2.188005
H -3.699865 0.867916 2.038447
H -3.151014 3.622201 -2.118198
H -4.075498 3.352555 2.122180
H -3.798506 4.733326 0.040756


