%chk=000044207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044207

0 1
 O   -3.194400       3.382300      -1.571100    
 O   0.2797000      -1.046100      -1.320200    
 N   -2.626200       1.039000     -5.8499999E-02
 N  -0.7194000     -0.9654000      0.7688000    
 N   -3.782100      -3.101300      0.5009000    
 C   -2.044200      -1.347900      0.3249000    
 C   -3.021300     -0.1982000      0.6116000    
 C   -3.302000       2.197000      0.5432000    
 C   -2.925200      0.9725000      -1.495700    
 C   -2.477700      -2.663200      0.9925000    
 C   -2.884200       3.474200     -0.1801000    
 C   -2.515200       2.278200      -2.170600    
 C    1.637900     -0.4277000      0.6022000    
 C   0.3474000     -0.8455000     -0.1090000    
 C    1.760900       1.081100      0.7822000    
 C    2.872500      -1.054400     -3.3599999E-02
 C   -3.659200      -3.670900     -0.8409000    
 C   -4.373600      -4.076700       1.416900    
 C    2.459400       1.598800       1.873000    
 C    3.336900      -2.290800      0.4153000    
 C    1.175400       1.944200     -0.1443000    
 C    3.538500     -0.3919000      -1.065000    
 C    2.572200       2.979200       2.037700    
 C    4.467100      -2.864800     -0.1669000    
 C    1.288400       3.324700      2.0500001E-02
 C    4.668700     -0.9661000      -1.647100    
 C    1.986800       3.842200       1.111400    
 C    5.132900      -2.202400      -1.198000    
 H   -1.990100      -1.521500     -0.7523000    
 H   -4.049000     -0.4703000      0.3395000    
 H   -3.024800     -3.4600001E-02   1.698600    
 H   -4.391300       2.077800      0.4765000    
 H   -3.033300       2.289100       1.601800    
 H   -3.998500      0.8050000      -1.654900    
 H   -2.380400      0.1602000      -1.985300    
 H   -1.712300      -3.438700      0.8511000    
 H   -2.525100      -2.483000       2.075800    
 H  -0.5846000     -0.7715000       1.756800    
 H   -1.814800       3.679400     -5.5799998E-02
 H   -3.433800       4.328900      0.2269000    
 H   -2.793900       2.253200      -3.229000    
 H   -1.432700       2.442200      -2.118400    
 H    1.571600     -0.8414000       1.620800    
 H   -2.957300      -4.512300     -0.8738000    
 H   -4.633700      -4.033500      -1.189200    
 H   -3.344300      -2.924500      -1.575900    
 H   -5.363900      -4.385900       1.064000    
 H   -4.521600      -3.635200       2.408800    
 H   -3.750600      -4.972000       1.525500    
 H    2.921400      0.9374000       2.601100    
 H    2.826100      -2.819000       1.216000    
 H   0.6393000       1.575100      -1.012500    
 H    3.196800      0.5614000      -1.454500    
 H    3.116400       3.382300       2.886700    
 H    4.828100      -3.827800      0.1820000    
 H   0.8359000       3.996700     -0.7028000    
 H    5.184900     -0.4529000      -2.453200    
 H    2.075500       4.917000       1.239000    
 H    6.012100      -2.649900      -1.652300    


%chk=000044207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044207

0 1
O -3.320793 3.694663 -0.661219
O 0.166091 -0.617980 -1.405076
N -2.826259 1.013644 0.360472
N -0.725819 -1.027402 0.702841
N -3.712625 -3.317587 0.168749
C -2.063981 -1.396808 0.211015
C -3.145568 -0.394486 0.685127
C -3.733072 1.958980 1.061576
C -2.815577 1.295681 -1.100659
C -2.400467 -2.843292 0.663992
C -3.303235 3.408364 0.781890
C -2.415158 2.758230 -1.351445
C 1.584248 -0.164915 0.576927
C 0.288444 -0.613698 -0.138312
C 1.863210 1.336143 0.371924
C 2.770917 -1.049599 0.154887
C -3.737505 -3.522872 -1.295774
C -4.177768 -4.516569 0.897195
C 2.400602 2.078335 1.454559
C 3.429560 -1.843689 1.126399
C 1.637661 1.996819 -0.862753
C 3.229889 -1.086233 -1.186522
C 2.710928 3.448913 1.312145
C 4.529268 -2.658314 0.771456
C 1.944280 3.369062 -1.004266
C 4.325260 -1.902456 -1.542634
C 2.483555 4.100982 0.078466
C 4.981445 -2.689482 -0.566816
H -1.976042 -1.371762 -0.888986
H -4.120706 -0.732201 0.257745
H -3.243737 -0.471978 1.788475
H -4.797123 1.827832 0.737016
H -3.683921 1.764036 2.150768
H -3.821351 1.103134 -1.554610
H -2.074907 0.643369 -1.596839
H -1.559679 -3.508781 0.340006
H -2.430205 -2.873095 1.772467
H -0.612763 -0.888765 1.709039
H -2.280880 3.576533 1.184548
H -4.006240 4.126713 1.236050
H -2.493282 3.010455 -2.421981
H -1.373590 2.921495 -1.001991
H 1.445573 -0.321092 1.664584
H -2.994539 -4.284776 -1.641983
H -4.744348 -3.858581 -1.600540
H -3.526175 -2.577938 -1.824863
H -5.190668 -4.789872 0.551288
H -4.233766 -4.298638 1.978750
H -3.514682 -5.407773 0.756914
H 2.585874 1.578439 2.414035
H 3.083833 -1.824028 2.168147
H 1.208552 1.435890 -1.699490
H 2.717675 -0.491087 -1.947994
H 3.127108 4.005232 2.159800
H 5.029622 -3.263957 1.535705
H 1.761304 3.867446 -1.963250
H 4.668464 -1.924632 -2.583256
H 2.721193 5.164519 -0.036150
H 5.833976 -3.318774 -0.846448


