%chk=000121109.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121109

0 1
 S   1.5500000E-02  2.9000000E-03   3.448600    
 P  -5.6000002E-02  1.3000000E-03   1.431100    
 N   -5.574600      5.9500001E-02 -0.8350000    
 N    2.768200      -4.750700     -0.8129000    
 N    2.867100       4.686800     -0.8264000    
 C   -1.689400      1.8400000E-02  0.7602000    
 C   0.8144000      -1.463300      0.7397000    
 C   0.8449000       1.445500      0.7352000    
 C   -2.722800     -0.6437000       1.423300    
 C   0.1194000      -2.254300     -0.1211000    
 C   0.7774000       2.615400       1.425200    
 C   -1.946500      0.6942000     -0.4327000    
 C    2.101000      -1.667400       1.130400    
 C    1.524500       1.256500     -0.4275000    
 C   -4.270000      4.5499999E-02 -0.2993000    
 C    2.100500      -3.627500     -0.2824000    
 C    2.175900       3.579200     -0.2928000    
 C   -4.013000     -0.6301000      0.8934000    
 C   0.7797000      -3.365400     -0.6456000    
 C    1.460700       3.710900      0.8973000    
 C   -3.236800      0.7078000     -0.9625000    
 C    2.761300      -2.778500      0.6056000    
 C    2.207900       2.352100     -0.9553000    
 C   -6.474600      -1.053000     -0.6045000    
 C   -6.037100       1.192600      -1.611500    
 C    2.428700      -5.252100      -2.129800    
 C    3.812500      -5.410000     -5.4000001E-02
 C    4.078500       4.493500      -1.598400    
 C    2.382800       6.033700     -0.5981000    
 H   -2.544000      -1.189300       2.344100    
 H  -0.9039000      -2.081400     -0.4215000    
 H   0.2080000       2.738500       2.337500    
 H   -1.167800       1.207300     -0.9835000    
 H    2.619300      -1.003100       1.811700    
 H    1.537200      0.3255000     -0.9777000    
 H   -4.796300      -1.148900       1.438700    
 H   0.2330000      -4.013000      -1.325300    
 H    1.420700       4.650400       1.441400    
 H   -3.401000       1.230600      -1.900400    
 H    3.794000      -2.945600      0.8984000    
 H    2.739800       2.221500      -1.893500    
 H   -6.925900     -0.9872000      0.3911000    
 H   -7.290300      -1.059200      -1.336300    
 H   -5.957800      -2.014500     -0.7018000    
 H   -5.725100       2.141700      -1.161200    
 H   -7.131400       1.214600      -1.665700    
 H   -5.658000       1.140600      -2.637400    
 H    3.227400      -5.887300      -2.529100    
 H    2.288700      -4.434900      -2.846500    
 H    1.516200      -5.856400      -2.091600    
 H    3.539700      -5.508400       1.002900    
 H    4.755600      -4.859000     -0.1318000    
 H    3.991800      -6.424400     -0.4278000    
 H    4.665700       5.417300      -1.650600    
 H    3.840900       4.196300      -2.625200    
 H    4.725900       3.734000      -1.145500    
 H    2.669700       6.385500      0.3984000    
 H    2.803700       6.733700      -1.328500    
 H    1.293100       6.091100     -0.6994000    


%chk=000121109-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121109

0 1
S 0.015809 0.014444 3.559848
P 0.021392 0.014965 1.444225
N -5.665250 -0.027998 -0.850665
N 2.830034 -4.947144 -0.813864
N 2.844243 4.961069 -0.829396
C -1.700355 0.039987 0.724217
C 0.853559 -1.496438 0.732521
C 0.905689 1.494187 0.729718
C -2.744537 -0.605747 1.427797
C 0.485520 -2.034334 -0.523514
C 0.872035 2.718941 1.437952
C -1.998904 0.684083 -0.499589
C 1.874155 -2.135245 1.475404
C 1.612656 1.433977 -0.494432
C -4.366145 -0.000528 -0.333288
C 2.179833 -3.817801 -0.306142
C 2.212129 3.823444 -0.317652
C -4.051950 -0.632643 0.914524
C 1.131632 -3.173245 -1.039480
C 1.507125 3.864522 0.929958
C -3.305335 0.669211 -1.024170
C 2.529649 -3.271744 0.972160
C 2.256723 2.572742 -1.014278
C -6.737954 -0.702513 -0.109458
C -5.968520 0.656799 -2.112319
C 2.427759 -5.505140 -2.109824
C 3.877620 -5.609319 -0.026612
C 3.582187 4.884891 -2.095381
C 2.802870 6.223959 -0.082058
H -2.522796 -1.065462 2.398657
H -0.331807 -1.580811 -1.096504
H 0.362082 2.755308 2.408157
H -1.213541 1.224972 -1.040799
H 2.127447 -1.744343 2.468434
H 1.685964 0.485638 -1.039523
H -4.832093 -1.137085 1.491240
H 0.810793 -3.565774 -2.008396
H 1.463788 4.790008 1.510677
H -3.498397 1.188346 -1.967131
H 3.307587 -3.741747 1.580014
H 2.801916 2.483034 -1.957994
H -6.910125 -0.241462 0.885050
H -7.676994 -0.634312 -0.681184
H -6.514188 -1.777019 0.048669
H -5.775966 1.747974 -2.049271
H -7.032265 0.514779 -2.360466
H -5.367465 0.254137 -2.953230
H 3.057038 -6.378068 -2.344867
H 2.550298 -4.768064 -2.929630
H 1.369162 -5.838665 -2.108537
H 3.491557 -5.991049 0.941115
H 4.721682 -4.923982 0.191210
H 4.275893 -6.465535 -0.593765
H 4.003187 5.874212 -2.334658
H 2.924949 4.582975 -2.936532
H 4.421570 4.160932 -2.043458
H 3.281447 6.131976 0.914693
H 3.341987 7.001470 -0.646151
H 1.762624 6.576037 0.072080


