%chk=000101043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101043

0 1
 O  -0.6051000     -0.2980000      -1.811000    
 N   -1.092700     -4.3200001E-02  0.4211000    
 C    1.287600      3.6800001E-02 -0.2990000    
 C    1.550200       1.476900      0.3101000    
 C    1.754900      -1.127100      0.6668000    
 C  -0.2212000     -0.1270000     -0.6519000    
 C    2.080500     -6.1200000E-02  -1.635700    
 C   0.8226000       1.795800       1.624700    
 C    1.269700       2.627400     -0.6742000    
 C    3.225700      -1.025800       1.101600    
 C    1.522500      -2.536500      9.2000000E-02
 C   -2.523600     -0.1511000      0.2568000    
 C   -3.202200     -1.8500000E-02   1.625100    
 C   -3.006800      0.9673000     -0.6724000    
 C   -2.862100      -1.515800     -0.3541000    
 H    2.623100       1.546800      0.5293000    
 H    1.154100      -1.079100       1.582600    
 H    3.141500      0.1683000      -1.494600    
 H    2.006100      -1.056000      -2.085600    
 H    1.694600      0.6269000      -2.395900    
 H    1.281500       2.678200       2.088300    
 H   0.9087000      0.9884000       2.355800    
 H  -0.2302000       2.051000       1.474900    
 H   0.2439000       2.591400      -1.054400    
 H    1.407400       3.598000     -0.1836000    
 H    1.957500       2.612100      -1.524400    
 H    3.484500      -1.859400       1.764800    
 H    3.910400      -1.064000      0.2496000    
 H    3.419300     -0.1091000       1.664900    
 H   0.4935000      -2.668800     -0.2546000    
 H    1.700300      -3.292500      0.8657000    
 H    2.200400      -2.761200     -0.7368000    
 H  -0.7273000     -6.1400000E-02   1.365700    
 H   -2.963300      0.9442000       2.092000    
 H   -4.292200     -9.0000004E-02   1.540600    
 H   -2.865800     -0.8046000       2.311300    
 H   -2.664400      0.8582000      -1.705200    
 H   -2.669400       1.948300     -0.3168000    
 H   -4.102500      0.9905000     -0.7105000    
 H   -2.421700      -2.330300      0.2332000    
 H   -3.947300      -1.672200     -0.3720000    
 H   -2.515700      -1.631900      -1.384900    


%chk=000101043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101043

0 1
O -0.556061 0.062982 -1.929767
N -1.077244 -0.164137 0.319864
C 1.340851 0.061616 -0.321333
C 1.647449 1.539877 0.194840
C 1.704924 -1.018588 0.777531
C -0.172965 -0.027236 -0.718622
C 2.170276 -0.184206 -1.610167
C 1.110172 1.888944 1.606499
C 1.174369 2.629185 -0.802044
C 3.190313 -0.963984 1.216065
C 1.347289 -2.464539 0.346163
C -2.568144 -0.232317 0.177870
C -3.136919 -0.380285 1.609942
C -3.097610 1.072898 -0.472310
C -2.962277 -1.463072 -0.681056
H 2.754972 1.599708 0.243513
H 1.108249 -0.798007 1.689138
H 3.231305 0.077598 -1.448792
H 2.113159 -1.237610 -1.932597
H 1.774551 0.415059 -2.443624
H 1.458428 2.899727 1.889888
H 1.462632 1.192847 2.388821
H 0.004571 1.910206 1.623390
H 0.071978 2.644862 -0.884822
H 1.502892 3.626203 -0.453050
H 1.580970 2.474845 -1.815116
H 3.378252 -1.716927 2.004405
H 3.863942 -1.194200 0.371339
H 3.475528 0.022638 1.621734
H 0.305846 -2.543951 -0.013581
H 1.467930 -3.156436 1.200856
H 2.013129 -2.820015 -0.460672
H -0.706695 -0.260061 1.266641
H -2.863733 0.487111 2.240847
H -4.238309 -0.437593 1.572427
H -2.766385 -1.304072 2.094190
H -2.660882 1.200384 -1.475948
H -2.833776 1.950802 0.145925
H -4.198427 1.028864 -0.564013
H -2.606212 -2.398157 -0.210259
H -4.062069 -1.519172 -0.778252
H -2.519268 -1.379992 -1.686564


