%chk=000117433.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117433

0 1
 O    4.302600     -0.2130000      0.7167000    
 N   -2.622200      0.6424000      0.6340000    
 C  -0.4959000      -1.329600      0.1891000    
 C   -1.617800      -1.033200     -0.8534000    
 C   -2.032800      0.4477000     -0.7083000    
 C   -1.099500      -1.065200       1.596800    
 C   0.6970000     -0.3794000     -2.0000001E-03
 C  -0.8454000       1.368600      -1.063100    
 C   -1.715900      0.3327000       1.740400    
 C   0.5054000      0.8997000     -0.5712000    
 C  -9.4999999E-02  -2.819100      0.1070000    
 C   -1.251900      -1.394900      -2.301900    
 C   -3.248000       1.949200      0.8100000    
 C    1.988000     -0.7258000      0.4371000    
 C    1.598200       1.770300     -0.7222000    
 C    3.063400      0.1519000      0.2871000    
 C    2.869900       1.397700     -0.2960000    
 H   -2.494400      -1.652600     -0.6082000    
 H   -2.833700      0.6441000      -1.434200    
 H  -0.3398000      -1.199600       2.377900    
 H   -1.882900      -1.809300       1.798400    
 H   -1.026800       2.390100     -0.7116000    
 H  -0.7832000       1.436000      -2.158000    
 H   -2.271300      0.3560000       2.686600    
 H  -0.9262000       1.088200       1.831600    
 H   0.5019000      -3.130300      0.9716000    
 H  -0.9815000      -3.463900      9.1399997E-02
 H   0.4930000      -3.033200     -0.7923000    
 H   -2.039300      -1.066100      -2.988900    
 H  -0.3111000     -0.9437000      -2.629400    
 H   -1.157300      -2.479200      -2.419700    
 H   -3.945900       2.162000     -7.1000000E-03
 H   -2.520100       2.764800      0.8664000    
 H   -3.838300       1.964100       1.733200    
 H    2.174000      -1.684900      0.9128000    
 H    1.457900       2.749700      -1.173800    
 H    3.697900       2.090000     -0.4206000    
 H    4.925400      0.5121000      0.5363000    


%chk=000117433-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117433

0 1
O 4.344994 -0.329936 0.702004
N -2.633170 0.654497 0.644086
C -0.493207 -1.332127 0.195740
C -1.615601 -1.037382 -0.855743
C -2.052537 0.442607 -0.712966
C -1.110142 -1.055308 1.611516
C 0.698860 -0.376976 -0.021621
C -0.867573 1.385601 -1.086108
C -1.693100 0.361957 1.751172
C 0.496791 0.921555 -0.581920
C -0.078040 -2.824132 0.136514
C -1.223007 -1.384944 -2.308582
C -3.328127 1.941477 0.812957
C 1.999847 -0.748688 0.394742
C 1.605098 1.793261 -0.709445
C 3.088539 0.136185 0.260255
C 2.900521 1.422621 -0.296002
H -2.494420 -1.650900 -0.569993
H -2.877581 0.634946 -1.428342
H -0.336092 -1.211772 2.387846
H -1.916837 -1.795485 1.781870
H -1.077001 2.409651 -0.717269
H -0.828057 1.471890 -2.191740
H -2.253359 0.437084 2.703600
H -0.862169 1.108812 1.807114
H 0.512681 -3.116979 1.023876
H -0.981143 -3.462878 0.120419
H 0.523182 -3.051190 -0.760988
H -2.015968 -1.065110 -3.011205
H -0.280018 -0.894573 -2.610612
H -1.089039 -2.473617 -2.435673
H -4.038004 2.093072 -0.020672
H -2.650974 2.832402 0.853436
H -3.906434 1.925684 1.755535
H 2.197109 -1.733450 0.826816
H 1.449105 2.788709 -1.144363
H 3.742582 2.118636 -0.404641
H 5.040688 0.359101 0.560880


