%chk=000050236.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050236

0 1
 N   -3.807800     -7.0900001E-02 -0.5120000    
 C   0.2868000     -8.6800002E-02  0.1959000    
 C  -0.8173000     -0.2960000     -0.8991000    
 C  -0.3107000     -0.3415000       1.623000    
 C   -3.055000      -1.169600      9.9900000E-02
 C   -1.781200      -1.479900     -0.7030000    
 C   -1.734000      0.1733000       1.879500    
 C   -2.800800     -0.8808000       1.581900    
 C   0.8098000       1.366800     -2.3100000E-02
 C    1.497900      -1.062500      7.6700002E-02
 C    1.426500       1.705700      -1.224000    
 C    2.576500     -0.9346000      0.9470000    
 C   0.6563000       2.315800      0.9833000    
 C    1.492200      -2.055200     -0.8986000    
 C   -5.094900      9.5399998E-02  0.1581000    
 C   -3.997800     -0.3207000      -1.938600    
 C    1.893900       3.005200      -1.420000    
 C    3.659400      -1.807300      0.8406000    
 C    1.123700       3.615300      0.7871000    
 C    2.575200      -2.927900      -1.004800    
 C    1.742500       3.960000     -0.4146000    
 C    3.658800      -2.803900     -0.1351000    
 H  -0.3599000     -0.3892000      -1.893100    
 H   -1.406100      0.6274000     -0.9806000    
 H   0.3516000      6.7500003E-02   2.397500    
 H  -0.3023000      -1.421900       1.830200    
 H   -3.668300      -2.082700      6.1400000E-02
 H   -2.040500      -1.892100      -1.686200    
 H   -1.260500      -2.308200     -0.2064000    
 H   -1.944400       1.108000       1.350600    
 H   -1.806700      0.4072000       2.949800    
 H   -2.484900      -1.824700       2.049500    
 H   -3.714600     -0.6310000       2.128600    
 H    1.559300      0.9793000      -2.020400    
 H    2.601900     -0.1646000       1.712400    
 H   0.1830000       2.112200       1.935400    
 H   0.6829000      -2.202800      -1.602200    
 H   -4.992800      0.5707000       1.137900    
 H   -5.645600     -0.8465000      0.2628000    
 H   -5.734600      0.7845000     -0.4078000    
 H   -3.076600     -0.2077000      -2.517800    
 H   -4.676500      0.4277000      -2.367000    
 H   -4.434900      -1.306300      -2.138300    
 H    2.376700       3.273500      -2.355200    
 H    4.503600      -1.710300       1.517000    
 H    1.005500       4.359800       1.569100    
 H    2.575700      -3.704300      -1.764400    
 H    2.106500       4.971800     -0.5673000    
 H    4.502100      -3.483200     -0.2180000    


%chk=000050236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050236

0 1
N -3.778917 -0.055109 -0.526992
C 0.277922 -0.129965 0.211096
C -0.829756 -0.353092 -0.876129
C -0.294912 -0.397363 1.650597
C -3.089385 -1.239363 0.075147
C -1.771880 -1.574848 -0.687128
C -1.760010 0.041726 1.932487
C -2.808731 -1.045985 1.587822
C 0.769065 1.333231 0.031293
C 1.493362 -1.080984 0.036522
C 1.510262 1.669673 -1.135298
C 2.645975 -0.875011 0.844617
C 0.481718 2.373102 0.951384
C 1.510748 -2.170960 -0.870523
C -5.012427 0.346639 0.184719
C -4.049297 -0.227971 -1.972722
C 1.943309 2.989757 -1.376397
C 3.766887 -1.725639 0.757366
C 0.916123 3.699288 0.715904
C 2.634268 -3.026948 -0.964217
C 1.646644 4.016908 -0.449394
C 3.767057 -2.812072 -0.149725
H -0.335419 -0.400801 -1.865418
H -1.469496 0.547957 -0.898398
H 0.388881 0.072501 2.383885
H -0.224171 -1.484885 1.847515
H -3.758468 -2.139674 -0.016128
H -2.026096 -1.994698 -1.679175
H -1.267009 -2.392421 -0.138716
H -2.011895 0.972720 1.390984
H -1.846995 0.268894 3.014175
H -2.456572 -2.019806 1.984627
H -3.754947 -0.833054 2.118882
H 1.767530 0.880742 -1.852323
H 2.669942 -0.022228 1.533743
H -0.081745 2.163017 1.865286
H 0.651400 -2.360574 -1.520563
H -4.784216 0.707730 1.200773
H -5.765674 -0.478422 0.268047
H -5.484530 1.182283 -0.361935
H -3.107310 -0.311745 -2.539208
H -4.584960 0.660680 -2.350896
H -4.672956 -1.130429 -2.200165
H 2.517897 3.216969 -2.281928
H 4.642965 -1.538285 1.389092
H 0.681878 4.482721 1.446332
H 2.622017 -3.860019 -1.676963
H 1.984020 5.043600 -0.631131
H 4.637503 -3.473787 -0.223223


