%chk=000094271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094271

0 1
 O    2.904800      0.7695000      -1.102300    
 O  -0.2580000       1.178100      -2.311200    
 O   0.9851000      -3.330000     -0.3472000    
 O   -3.701900      -1.011800     -0.2142000    
 N   0.3014000      -1.621500       1.014300    
 N   -2.113000     -8.6400002E-02   1.148100    
 N    1.968900      -1.271500     -0.6170000    
 N   -1.933000      7.2600000E-02  -1.198900    
 C    1.151500      0.7192000      0.6052000    
 C  -0.2272000       1.276800      0.1390000    
 C   0.4049000     -0.2483000       1.539800    
 C  -0.8538000      0.6311000       1.386700    
 C    1.939700       1.696800       1.482100    
 C  -0.3188000       2.797300      0.2477000    
 C    2.094000      0.1084000     -0.4445000    
 C  -0.7750000      0.8515000      -1.237000    
 C    1.079500      -2.150700      1.0000000E-03
 C   -2.649200     -0.3811000     -9.1499999E-02
 H   0.7761000     -0.2926000       2.571100    
 H  -0.9835000       1.309200       2.240600    
 H    2.306300       2.552700      0.9045000    
 H    1.370000       2.077000       2.337200    
 H    2.822300       1.198900       1.903700    
 H   -1.327700       3.136600     -1.8900000E-02
 H  -0.1304000       3.191300       1.250800    
 H   0.3771000       3.283600     -0.4455000    
 H  -0.3623000      -2.260500       1.445200    
 H   -2.644600     -0.4185000       1.949200    
 H    2.568000      -1.680500      -1.329100    
 H   -2.318600     -0.1822000      -2.104300    


%chk=000094271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094271

0 1
O 3.058366 0.881317 -0.889054
O -0.079719 0.872387 -2.206937
O 0.928054 -3.247069 -0.666316
O -3.806598 -0.955539 -0.112709
N 0.251985 -1.614237 0.858131
N -2.181773 0.011811 1.261065
N 1.972912 -1.159305 -0.710512
N -1.888737 -0.041182 -1.086971
C 1.195316 0.724933 0.707795
C -0.225061 1.307865 0.209759
C 0.412024 -0.341309 1.556942
C -0.866414 0.595878 1.450141
C 1.974090 1.706786 1.602442
C -0.376432 2.833595 0.075432
C 2.147431 0.187557 -0.368304
C -0.690302 0.686553 -1.121782
C 1.031995 -2.085170 -0.188713
C -2.699264 -0.372419 0.032523
H 0.796520 -0.493352 2.582455
H -0.891921 1.275418 2.318777
H 2.391152 2.526578 0.995816
H 1.341789 2.132796 2.401049
H 2.821366 1.184797 2.082403
H -1.433114 3.103228 -0.107633
H -0.045791 3.354202 0.989472
H 0.221155 3.197426 -0.777748
H -0.425564 -2.290608 1.216035
H -2.796726 -0.154368 2.058819
H 2.554810 -1.523280 -1.471964
H -2.238947 -0.390290 -1.985814


