%chk=000063062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063062

0 1
 O    4.447700      0.8969000     -0.7594000    
 O   -4.635000       4.149300      0.5062000    
 N    7.572400     -0.5760000      0.5262000    
 C   -1.039800     -9.3699999E-02 -0.1921000    
 C   -1.529400      -1.378400     -0.2251000    
 C   0.3843000      0.1627000     -0.3391000    
 C  -0.6768000      -2.614400     -0.4710000    
 C   -2.002600       1.041800     -5.4000001E-03
 C   -2.974200      -1.684800     -7.4800000E-02
 C   0.9286000      0.3662000      -1.607300    
 C    1.205300      0.2059000      0.7875000    
 C  -0.1235000      -3.212900      0.8167000    
 C    3.106000      0.6543000     -0.6209000    
 C   -2.282000       1.455000       1.273200    
 C   -2.558900       1.614700      -1.121500    
 C    2.294300      0.6127000      -1.748500    
 C    2.571000      0.4526000      0.6462000    
 C   -3.766300      -1.737500      -1.203900    
 C   -3.481400      -1.908100       1.189200    
 C    6.646500      1.0300000E-02 -0.4423000    
 C    5.307900      0.3145000      0.2111000    
 C   -3.176700       2.511000       1.447200    
 C   -3.453500       2.670800     -0.9475000    
 C   -5.123800      -2.026000      -1.062900    
 C   -4.838800      -2.196600       1.330200    
 C   -3.762400       3.118900      0.3368000    
 C   -5.659900      -2.255400      0.2042000    
 C    8.852400     -0.8826000     -0.1112000    
 C    7.768900      0.3291000       1.658000    
 H   0.1575000      -2.384500      -1.143100    
 H   -1.258700      -3.380200      -1.000100    
 H   0.3032000      0.3345000      -2.496200    
 H   0.7957000      5.8200002E-02   1.784000    
 H  -0.9285000      -3.560400       1.472100    
 H   0.5088000      -4.076100      0.5842000    
 H   0.4835000      -2.496900       1.376500    
 H   -1.831000      0.9879000       2.143600    
 H   -2.324400       1.272800      -2.125100    
 H    2.714600      0.7700000      -2.737600    
 H    3.168300      0.5083000       1.550900    
 H   -3.358900      -1.561900      -2.195600    
 H   -2.852300      -1.863000       2.073800    
 H    7.054000      0.9260000     -0.8920000    
 H    6.477600     -0.6864000      -1.273800    
 H    4.902400     -0.6267000      0.6064000    
 H    5.399700       1.045000       1.020300    
 H   -3.413500       2.855300       2.450200    
 H   -3.903100       3.135700      -1.820800    
 H   -5.763200      -2.071800      -1.939600    
 H   -5.256500      -2.374600       2.316800    
 H   -6.716900      -2.479700      0.3140000    
 H    8.710600      -1.580500     -0.9440000    
 H    9.349900      1.5799999E-02 -0.4946000    
 H    9.527800      -1.375700      0.5969000    
 H    8.583300     -3.2800000E-02   2.297800    
 H    8.024900       1.347400       1.343100    
 H    6.893300      0.3599000       2.313700    
 H   -4.942600       4.448400     -0.3667000    


%chk=000063062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063062

0 1
O 4.526756 0.683733 -0.639430
O -4.095605 4.686336 0.088874
N 7.923558 -0.193813 0.640175
C -1.143865 -0.243666 -0.279442
C -1.729141 -1.499682 -0.338014
C 0.341042 -0.045454 -0.355023
C -0.949201 -2.757603 -0.720580
C -1.945671 1.022310 -0.188655
C -3.178529 -1.729737 -0.026187
C 0.898606 0.917532 -1.247004
C 1.239521 -0.760649 0.478794
C -0.873297 -3.826742 0.400655
C 3.162832 0.392805 -0.490441
C -1.536391 2.080593 0.672539
C -3.099067 1.235178 -0.991188
C 2.284641 1.130346 -1.325025
C 2.635733 -0.554027 0.422427
C -3.996167 -2.550342 -0.852993
C -3.761323 -1.190532 1.156306
C 6.880170 0.438922 -0.200224
C 5.483697 -0.051470 0.206702
C -2.261002 3.283988 0.760402
C -3.830414 2.437815 -0.923319
C -5.348084 -2.799026 -0.528402
C -5.108197 -1.444546 1.487770
C -3.414087 3.461549 -0.038026
C -5.912989 -2.247498 0.644762
C 9.220641 -0.329787 -0.053304
C 8.073588 0.450843 1.961627
H 0.067704 -2.487616 -1.050423
H -1.446460 -3.222376 -1.597598
H 0.228682 1.498991 -1.889720
H 0.837684 -1.478362 1.202347
H -1.882754 -4.132620 0.728266
H -0.339901 -4.727159 0.044119
H -0.336157 -3.440212 1.286143
H -0.637516 1.952135 1.285575
H -3.422926 0.449402 -1.680680
H 2.711002 1.861449 -2.018866
H 3.290028 -1.122811 1.089703
H -3.579235 -2.984209 -1.769441
H -3.144079 -0.571974 1.816326
H 6.904303 1.554901 -0.152605
H 7.050012 0.156934 -1.254626
H 5.398525 -1.141639 0.032453
H 5.273042 0.158182 1.274992
H -1.950954 4.090349 1.431663
H -4.715549 2.577392 -1.558049
H -5.959114 -3.424077 -1.190010
H -5.529646 -1.019911 2.406176
H -6.959936 -2.444950 0.901367
H 9.086437 -0.896618 -0.991247
H 9.698523 0.651165 -0.304062
H 9.923252 -0.893594 0.586743
H 8.775117 -0.135010 2.581921
H 8.460628 1.499600 1.894592
H 7.104954 0.480349 2.489751
H -4.887622 4.709213 -0.503686


