%chk=000049461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049461

0 1
 O   0.7285000      0.7615000     -0.4576000    
 O   -3.633300      -1.123600     -0.1866000    
 O    2.477600      -2.825800      0.3651000    
 N   -1.379700       2.233700      0.1414000    
 C   -1.434400     -0.1772000     -0.3224000    
 C  -5.1899999E-02 -0.3467000     -0.2435000    
 C   -2.016600       1.165800     -0.6285000    
 C   0.4804000      -1.603200      4.2599998E-02
 C   -2.280000      -1.267300     -0.1144000    
 C    2.105200      0.6214000     -0.3863000    
 C  -0.3628000      -2.697200      0.2515000    
 C    1.941800      -1.754100      0.1195000    
 C   -1.745200      -2.524300      0.1720000    
 C    2.734400     -0.5326000     -0.1194000    
 C    2.848300       1.895300     -0.6379000    
 C   -1.544600       1.998400       1.575300    
 C   -1.936300       3.534000     -0.2305000    
 C    3.068600       2.641900      0.6599000    
 H   -1.869900       1.344500      -1.702200    
 H   -3.100200       1.186400     -0.4572000    
 H   3.5399999E-02  -3.682700      0.4754000    
 H   -2.395400      -3.379700      0.3357000    
 H    3.814500     -0.6070000     -6.9799997E-02
 H    3.817400       1.687900      -1.107700    
 H    2.291500       2.522800      -1.343800    
 H   -2.599900       1.918600       1.862100    
 H   -1.107300       2.827800       2.144300    
 H   -1.022800       1.102600       1.925500    
 H   -3.008900       3.604100     -1.6100001E-02
 H   -1.784300       3.726500      -1.298500    
 H   -1.424000       4.339400      0.3075000    
 H    3.604000       3.578000      0.4702000    
 H    3.664400       2.054200       1.366700    
 H    2.117700       2.892900       1.142900    
 H   -4.054000      -1.983500     -1.4300000E-02


%chk=000049461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049461

0 1
O 0.972969 0.655707 -0.577543
O -3.525957 -0.899601 -0.013563
O 2.597202 -3.094175 0.299445
N -1.559905 2.238205 0.556650
C -1.273136 -0.106165 -0.272725
C 0.111463 -0.409780 -0.260614
C -1.771519 1.295008 -0.579068
C 0.629566 -1.699919 0.031111
C -2.149749 -1.181877 0.004115
C 2.361096 0.457804 -0.548620
C -0.293454 -2.739497 0.310400
C 2.096009 -1.947983 0.042878
C -1.670909 -2.492183 0.293901
C 2.912794 -0.765788 -0.257119
C 3.089454 1.741920 -0.844441
C -2.364045 1.895967 1.747527
C -1.759285 3.638831 0.134047
C 2.829926 2.827228 0.235298
H -1.200809 1.694171 -1.437515
H -2.845447 1.239718 -0.874662
H 0.113563 -3.730733 0.534043
H -2.382136 -3.300668 0.505852
H 3.999897 -0.877547 -0.244689
H 4.168970 1.524998 -0.923339
H 2.754496 2.123260 -1.829035
H -3.467135 1.954029 1.566885
H -2.108985 2.586723 2.571271
H -2.127984 0.869594 2.076162
H -2.804179 3.860683 -0.205190
H -1.072091 3.879237 -0.697427
H -1.528175 4.314299 0.977220
H 3.331251 3.770856 -0.043795
H 3.219254 2.505937 1.217630
H 1.747972 3.017500 0.340866
H -4.052784 -1.712960 0.184946


