%chk=000034463.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034463

0 1
 O    2.146800      -1.274300     -0.3900000    
 O   -4.248400      -2.061100      0.5581000    
 N   0.7416000       2.536500      1.6000000E-03
 N   -4.946700      0.1465000      0.7519000    
 N   -5.742600     -0.1128000       1.848700    
 C    1.055300       1.206300      0.5245000    
 C   0.2226000      0.1386000     -0.1048000    
 C    1.536900       3.554400      0.6866000    
 C   0.9782000       2.586800      -1.440400    
 C   0.8014000      -1.055300     -0.5352000    
 C   -1.148100      0.3446000     -0.2596000    
 C   -1.940200     -0.6433000     -0.8448000    
 C   9.4999997E-03  -2.043200      -1.120600    
 C    2.533100      -2.390700      0.3997000    
 C   -1.361300      -1.837200      -1.275300    
 C    3.861800      -2.079900       1.074000    
 C    1.257700       3.556100       2.180100    
 C   0.6577000       3.961800      -2.001700    
 C   -3.405800     -0.4231000      -1.011300    
 C    4.956500      -1.784600      5.2700002E-02
 C   -4.236700     -0.8937000      0.1748000    
 C    6.270800      -1.432500      0.7308000    
 H   0.8375000       1.134200       1.596100    
 H    2.127400       1.003900      0.4065000    
 H    1.264400       4.557800      0.3443000    
 H    2.612200       3.425900      0.5096000    
 H    2.016200       2.329300      -1.689000    
 H   0.3366000       1.880900      -1.978100    
 H   -1.614200       1.264000      8.7399997E-02
 H   0.4475000      -2.975000      -1.467900    
 H    1.784500      -2.605400       1.173000    
 H    2.629900      -3.270700     -0.2461000    
 H   -1.967300      -2.614600      -1.733100    
 H    4.156200      -2.924200       1.707800    
 H    3.737600      -1.204500       1.723600    
 H    1.669000       4.467700       2.628700    
 H    1.732300       2.716000       2.696200    
 H   0.1832000       3.545200       2.393300    
 H  -0.3146000       4.327400      -1.653800    
 H    1.426800       4.703200      -1.764100    
 H   0.6105000       3.906900      -3.095400    
 H   -3.596100      0.6359000      -1.226800    
 H   -3.772700     -0.9621000      -1.894500    
 H    5.106300      -2.656800     -0.5942000    
 H    4.664900     -0.9489000     -0.5937000    
 H    6.619300      -2.256000       1.362200    
 H    7.042000      -1.229800     -1.8999999E-02
 H    6.163100     -0.5408000       1.356600    
 H   -4.905800       1.101100      0.4092000    
 H   -6.681300      0.2084000       1.615500    
 H   -5.416600      0.4933000       2.600500    


%chk=000034463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034463

0 1
O 2.069569 -1.268213 0.518524
O -4.752367 -1.925012 -0.305566
N 0.927664 2.758433 -0.075107
N -4.856005 0.110527 0.808998
N -5.745435 -0.342619 1.820892
C 1.309595 1.420343 0.444535
C 0.335648 0.315520 0.044977
C 1.481953 3.862583 0.754053
C 1.259108 2.892381 -1.522483
C 0.743441 -1.047812 0.098182
C -0.987059 0.602221 -0.352741
C -1.905033 -0.418397 -0.703501
C -0.157858 -2.083062 -0.250594
C 2.561038 -2.659240 0.563386
C -1.473990 -1.765046 -0.649175
C 4.026878 -2.608681 1.001817
C 0.712345 4.067831 2.073050
C 0.447968 3.991997 -2.232976
C -3.334155 -0.073160 -1.123999
C 4.953598 -1.907623 -0.016888
C -4.373135 -0.719836 -0.196691
C 6.421054 -1.855219 0.458391
H 1.346117 1.472535 1.549760
H 2.339437 1.127946 0.127476
H 1.416997 4.794008 0.163322
H 2.569290 3.702042 0.970485
H 2.354958 3.071156 -1.670277
H 1.031163 1.922133 -2.000575
H -1.271908 1.660981 -0.384643
H 0.149400 -3.132058 -0.213110
H 1.947113 -3.240080 1.282492
H 2.462583 -3.119364 -0.442800
H -2.175696 -2.567135 -0.904655
H 4.371222 -3.650897 1.164068
H 4.088507 -2.094016 1.980619
H 1.148385 4.905869 2.648591
H 0.744434 3.169444 2.715986
H -0.347241 4.295702 1.863006
H -0.633466 3.789689 -2.136758
H 0.644760 4.995349 -1.813861
H 0.705206 4.024185 -3.308116
H -3.462497 1.024614 -1.151803
H -3.544503 -0.460091 -2.137622
H 4.895248 -2.439879 -0.988507
H 4.576573 -0.883125 -0.195544
H 6.825019 -2.872176 0.624510
H 7.067071 -1.353336 -0.284915
H 6.509053 -1.299837 1.411241
H -4.489440 1.054828 0.938147
H -6.670066 -0.548411 1.416346
H -5.363642 -1.185793 2.274649


