%chk=000035829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035829

1 1
 O  -0.5608000       1.345500     -7.7999998E-03
 O   -3.446800     -0.6328000     -0.6969000    
 N    2.255700      0.6014000     -6.3600004E-02
 C    1.179100     -0.3580000      9.8999999E-03
 C   -2.471800     -0.1396000      0.2003000    
 C  -0.1437000      3.9600000E-02  3.2800000E-02
 C   -1.989000       1.250400     -0.2481000    
 C   -1.184900     -0.8728000      0.1227000    
 C    3.648400     -9.2600003E-02 -6.7800000E-02
 C    2.226200       1.595700       1.133200    
 C    2.253200       1.506000      -1.337200    
 C    1.448100      -1.726600      6.7100003E-02
 C  -0.9302000      -2.231100      0.1907000    
 C   -2.683900       2.372400      0.5095000    
 C   0.4001000      -2.657500      0.1554000    
 H   -2.862200     -0.1399000       1.223900    
 H   -2.152800       1.399300      -1.324600    
 H    4.413600      0.6902000     -0.1127000    
 H    3.773400     -0.6442000      0.8695000    
 H    3.733700     -0.7214000     -0.9599000    
 H    2.185400       1.008500       2.055700    
 H    3.146100       2.188500       1.105800    
 H    1.364100       2.259500       1.047200    
 H    1.352900       2.123900      -1.338600    
 H    3.143400       2.142100      -1.313100    
 H    2.271500      0.8464000      -2.209800    
 H    2.444600      -2.153800      5.1399998E-02
 H   -1.736300      -2.951500      0.2775000    
 H   -2.307400       3.345600      0.1766000    
 H   -3.766600       2.343600      0.3558000    
 H   -2.476800       2.307900       1.583400    
 H   0.6263000      -3.719300      0.2051000    
 H   -3.707400      -1.518600     -0.3918000    


%chk=000035829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035829

1 1
O -0.571112 1.373154 -0.259512
O -2.998596 -0.363274 -1.557486
N 2.302146 0.635288 -0.137876
C 1.179983 -0.370544 0.068915
C -2.531362 -0.101595 -0.185704
C -0.161903 0.062375 -0.020683
C -2.107155 1.391555 -0.161404
C -1.235824 -0.844261 0.124379
C 3.685188 -0.001057 -0.029881
C 2.201659 1.742755 0.926254
C 2.173432 1.257918 -1.541233
C 1.425198 -1.736290 0.345824
C -0.991493 -2.196826 0.406745
C -2.492722 2.161521 1.097755
C 0.350498 -2.637419 0.522590
H -3.333000 -0.309401 0.548773
H -2.446116 1.884138 -1.086036
H 4.433159 0.787890 -0.200073
H 3.820777 -0.424933 0.975662
H 3.793658 -0.781714 -0.796653
H 2.300224 1.279189 1.918899
H 3.014139 2.466600 0.756956
H 1.223690 2.233138 0.827538
H 1.193568 1.748719 -1.619543
H 2.984105 1.991239 -1.673823
H 2.256269 0.452456 -2.285672
H 2.442940 -2.123640 0.432766
H -1.815122 -2.906877 0.535935
H -2.064282 3.177296 1.082309
H -3.592001 2.261940 1.146335
H -2.152367 1.646249 2.013538
H 0.566787 -3.685748 0.745715
H -3.409167 -1.263042 -1.619706


