%chk=000046552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046552

0 1
 O   0.5951000      -2.132400      0.1846000    
 O    5.259700       1.521200      7.4600004E-02
 O    5.303400     -0.6196000      0.5583000    
 N  -0.8687000      0.1459000     -0.5449000    
 N    4.680200      0.4195000      0.2322000    
 N   -1.463800      0.3817000      0.5328000    
 C    1.230100     -0.9389000      1.3700000E-02
 C   0.5217000      0.2035000     -0.3483000    
 C    3.275700      0.3465000      3.5999998E-02
 C    2.609800     -0.8675000      0.2063000    
 C    1.182400       1.417300     -0.5192000    
 C    2.562100       1.489000     -0.3263000    
 C   -2.847500      0.3247000      0.3376000    
 C   -3.526100     -0.8825000      0.5043000    
 C   -3.548800       1.475100     -2.3399999E-02
 C   -4.906400     -0.9392000      0.3104000    
 C   -4.929000       1.418300     -0.2175000    
 C   -5.608100      0.2113000     -5.0299998E-02
 C   0.4783000      -2.973800     -0.9609000    
 H    3.140100      -1.773700      0.4898000    
 H   0.6343000       2.312000     -0.8023000    
 H    3.047400       2.451400     -0.4676000    
 H   -2.988200      -1.784200      0.7856000    
 H   -3.029000       2.420600     -0.1551000    
 H   -5.434900      -1.879200      0.4405000    
 H   -5.475100       2.314000     -0.4984000    
 H   -6.682700      0.1673000     -0.2013000    
 H  -8.7099999E-02  -2.472700      -1.753000    
 H  -5.9900001E-02  -3.879100     -0.6671000    
 H    1.468800      -3.259400      -1.329200    


%chk=000046552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046552

0 1
O 1.333488 -2.525195 -0.181177
O 5.354794 1.862359 0.044912
O 5.728857 -0.387127 -0.022018
N -0.698352 -0.334476 -0.144952
N 4.944516 0.638128 -0.003316
N -1.460507 0.734416 -0.121025
C 1.616642 -1.170733 -0.129397
C 0.699567 -0.060998 -0.109026
C 3.479041 0.402362 -0.039382
C 3.014630 -0.916526 -0.093148
C 1.229701 1.267932 -0.053880
C 2.601182 1.518110 -0.018937
C -2.863952 0.471246 -0.158527
C -3.459023 -0.823168 -0.219810
C -3.688985 1.628528 -0.131142
C -4.859911 -0.942939 -0.252593
C -5.092414 1.499334 -0.164442
C -5.681460 0.214222 -0.225138
C -0.028188 -3.084218 -0.237269
H 3.712952 -1.756121 -0.108229
H 0.504051 2.085951 -0.040146
H 3.012086 2.529039 0.022833
H -2.812406 -1.705068 -0.240769
H -3.203634 2.608843 -0.084063
H -5.321942 -1.935320 -0.299800
H -5.724894 2.392983 -0.143344
H -6.771826 0.111053 -0.251019
H -0.605922 -2.804691 0.659247
H 0.138700 -4.171640 -0.278846
H -0.562988 -2.729184 -1.133697


