%chk=000037181.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037181

0 1
 O  -0.6765000       2.015900     -0.4039000    
 N    3.105500      0.1382000      0.1491000    
 N   -3.075900      -1.807000      0.3166000    
 C   0.6761000      4.1000000E-03 -0.2435000    
 C    1.850800      0.8902000      0.1626000    
 C    5.536900      0.1953000      0.6481000    
 C    4.219100      0.9869000      0.5988000    
 C    3.361700     -0.4089000      -1.190000    
 C    5.838300     -0.4351000     -0.7159000    
 C   0.6048000      -1.240200      0.6706000    
 C    4.642200      -1.243700      -1.206900    
 C  -0.5744000      -2.157500      0.3114000    
 C  -0.6442000      0.8018000     -0.2234000    
 C   -1.860800      2.3600001E-02 -4.6799999E-02
 C   -1.802100      -1.331700      0.1959000    
 C    6.690800       1.091100       1.094900    
 C   -3.236100      0.3946000     -6.3600004E-02
 C   -3.974400     -0.7726000      0.1653000    
 C   -3.934700       1.605200     -0.2521000    
 C   -5.373300     -0.7848000      0.2140000    
 C   -5.333600       1.606300     -0.2053000    
 C   -6.040000      0.4282000      2.4300000E-02
 H   0.7587000     -0.3142000      -1.289800    
 H    1.666600       1.284400       1.171000    
 H    1.913000       1.760300     -0.5051000    
 H    5.430900     -0.6111000       1.386900    
 H    4.004900       1.364700       1.606600    
 H    4.329800       1.860600     -5.8100000E-02
 H    3.433000      0.3936000      -1.935900    
 H    2.577000      -1.095400      -1.518100    
 H    6.719800      -1.083300     -0.6491000    
 H    6.071000      0.3479000      -1.448800    
 H   0.4941000     -0.9151000       1.714600    
 H    1.521100      -1.838100      0.6189000    
 H    4.835400      -1.605400      -2.223300    
 H    4.513900      -2.129400     -0.5714000    
 H  -0.6906000      -2.930500       1.078800    
 H  -0.3798000      -2.658300     -0.6442000    
 H    6.492100       1.514900       2.084900    
 H    7.623600      0.5207000       1.155500    
 H    6.845500       1.920500      0.3964000    
 H   -3.327000      -2.769700      0.4954000    
 H   -3.402300       2.534500     -0.4331000    
 H   -5.924600      -1.701900      0.3929000    
 H   -5.873400       2.538400     -0.3503000    
 H   -7.126200      0.4514000      5.6699999E-02


%chk=000037181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037181

0 1
O -0.709717 1.927583 -0.745344
N 3.144838 0.157231 -0.113879
N -3.159566 -1.805223 0.644837
C 0.635764 -0.076691 -0.212769
C 1.843577 0.869310 -0.011364
C 5.540470 0.037783 0.629807
C 4.234644 0.866448 0.603608
C 3.531274 -0.121151 -1.520338
C 5.962236 -0.314894 -0.818100
C 0.569738 -1.162616 0.893253
C 4.802192 -0.991548 -1.581844
C -0.606301 -2.150395 0.683121
C -0.688271 0.720361 -0.338384
C -1.900203 -0.024521 -0.006578
C -1.859027 -1.356116 0.450478
C 6.656004 0.790340 1.384391
C -3.302068 0.362489 -0.094928
C -4.073442 -0.776473 0.320025
C -3.972255 1.547826 -0.484961
C -5.481886 -0.767115 0.360463
C -5.382684 1.565927 -0.448677
C -6.128261 0.425786 -0.031577
H 0.755946 -0.598529 -1.189577
H 1.773677 1.311846 1.001347
H 1.762177 1.714164 -0.733244
H 5.314856 -0.909102 1.162901
H 3.897901 1.061144 1.639883
H 4.454790 1.862936 0.133325
H 3.710894 0.835290 -2.080195
H 2.696866 -0.639602 -2.027361
H 6.855429 -0.969479 -0.805638
H 6.254044 0.619488 -1.343579
H 0.451323 -0.664312 1.876308
H 1.534733 -1.699506 0.909324
H 5.080690 -1.162173 -2.639899
H 4.582422 -1.977746 -1.128717
H -0.709637 -2.823970 1.556402
H -0.396181 -2.796967 -0.195286
H 6.361367 1.013526 2.427271
H 7.585780 0.192274 1.416574
H 6.891705 1.750820 0.886384
H -3.415001 -2.729767 0.988517
H -3.392917 2.418997 -0.802740
H -6.059173 -1.642100 0.679377
H -5.919260 2.473679 -0.746088
H -7.222788 0.474147 -0.014928


