%chk=000048879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048879

0 1
 O   -1.101000       3.089200      0.4630000    
 N   -1.031700     -0.4085000     -0.3725000    
 N   0.6199000       1.185900      0.1521000    
 N   -1.600500       1.838700      0.1609000    
 N    2.907800      -1.705400      0.3090000    
 C   -2.463400     -0.7000000     -0.5460000    
 C   -3.190500     -0.4755000      0.7951000    
 C   -2.992800      0.2030000      -1.661900    
 C   -2.590700      -2.169200     -0.9652000    
 C   -2.703500      -1.349800       1.945100    
 C  -0.7018000      0.8014000     -4.8500001E-02
 C    1.808600      0.4292000      7.8000002E-02
 C    3.008700       1.025200     -0.2809000    
 C    1.805900     -0.9237000      0.3610000    
 C    4.163900      0.2540000     -0.3453000    
 C    4.061100      -1.094500     -4.3800000E-02
 H   -3.212500      0.5453000       1.171000    
 H   -4.252400     -0.7153000      0.6390000    
 H   -2.203900      0.6160000      -2.300900    
 H   -3.633900       1.016400      -1.310400    
 H   -3.649000     -0.3698000      -2.331000    
 H   -2.056000      -2.840200     -0.2846000    
 H   -2.148800      -2.327800      -1.956600    
 H   -3.638500      -2.485300      -1.011900    
 H   -3.249400      -1.095000       2.860000    
 H   -1.638200      -1.199500       2.143800    
 H   -2.879300      -2.412300       1.755300    
 H   0.7866000       2.185300      0.2377000    
 H   -2.595000       1.832500      7.1000000E-03
 H    3.059400       2.085400     -0.5130000    
 H   0.9199000      -1.457100      0.6855000    
 H    5.114600      0.6943000     -0.6232000    
 H    4.932900      -1.739500     -7.9499997E-02
 H   -1.174300       3.544000     -0.3932000    


%chk=000048879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048879

0 1
O -0.856137 3.209003 0.690204
N -1.100312 -0.373554 -0.258602
N 0.669580 1.171217 0.129856
N -1.545828 1.992639 0.152830
N 2.937200 -1.703431 -0.714483
C -2.507833 -0.803736 -0.502851
C -3.477782 -0.519633 0.698407
C -3.062463 -0.120382 -1.785646
C -2.428883 -2.334097 -0.743030
C -2.933743 -0.894887 2.093631
C -0.679322 0.826198 0.008187
C 1.818757 0.387072 -0.093151
C 3.088387 1.003961 0.094834
C 1.799428 -0.982923 -0.495772
C 4.260700 0.257550 -0.127059
C 4.143764 -1.092383 -0.534494
H -3.790561 0.547183 0.688478
H -4.408056 -1.089618 0.504100
H -2.424546 -0.369840 -2.651967
H -3.084862 0.978777 -1.678569
H -4.087864 -0.476952 -1.996010
H -2.020190 -2.851209 0.142210
H -1.754563 -2.544089 -1.591288
H -3.427528 -2.749983 -0.971649
H -3.673131 -0.654725 2.879611
H -1.997362 -0.356105 2.326351
H -2.712146 -1.974442 2.159527
H 0.808263 2.134992 0.456396
H -2.345131 1.815537 0.779284
H 3.148914 2.053556 0.410133
H 0.842625 -1.488628 -0.632405
H 5.247384 0.711528 0.011683
H 5.030748 -1.708106 -0.720809
H -0.995310 3.876912 -0.032734


