%chk=000114325.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114325

0 1
 S   0.5278000       2.720700      -1.216700    
 F    6.019400      -1.042500     -0.3555000    
 F    5.122700      -1.312800       1.600800    
 F    4.500900      -2.570900     -6.0400002E-02
 N   0.1529000      0.3458000      0.7543000    
 N   -2.668300      -1.501300     -0.3289000    
 C  -0.2089000     -0.9525000       1.337700    
 C  -0.3160000      -2.022300      0.2514000    
 C   -1.325100      -1.706600     -0.8570000    
 C    1.439600      0.4631000      0.1703000    
 C  -0.7858000       1.401200      0.8775000    
 C    1.739600       1.512100     -0.7213000    
 C  -0.7063000       2.543200      5.6100000E-02
 C    2.485000     -0.4353000      0.4774000    
 C   -3.582300      -1.081800      -1.392900    
 C   -3.162200      -2.721000      0.3127000    
 C   -1.815200       1.377500       1.843900    
 C    3.756700     -0.3127000     -8.8799998E-02
 C    3.019500       1.627800      -1.292000    
 C   -1.635700       3.590500      0.1875000    
 C    4.023300      0.7180000     -0.9772000    
 C   -2.733300       2.423200       1.973300    
 C   -2.645400       3.529400       1.142000    
 C    4.828700      -1.287200      0.2673000    
 C   -3.104700      0.1656000      -2.070500    
 C   -4.515500      -2.515400      0.9207000    
 C   -2.802700      0.2412000      -3.371600    
 C   -5.608800      -3.196900      0.5600000    
 H   -1.162800     -0.9777000       1.863600    
 H   0.5094000      -1.248800       2.111200    
 H  -0.5251000      -2.990600      0.7198000    
 H   0.6521000      -2.178900     -0.2375000    
 H  -0.9476000     -0.8253000      -1.385500    
 H   -1.313900      -2.527100      -1.587500    
 H    2.344600      -1.249600       1.182900    
 H   -4.571300     -0.8360000     -0.9890000    
 H   -3.725600      -1.886800      -2.126700    
 H   -2.525600      -3.019100       1.151100    
 H   -3.175000      -3.561900     -0.3938000    
 H   -1.920400      0.5854000       2.577200    
 H    3.248200       2.431000      -1.989700    
 H   -1.582000       4.467500     -0.4544000    
 H    5.003000      0.8337000      -1.431500    
 H   -3.506900       2.374500       2.734200    
 H   -3.355600       4.344800       1.238900    
 H   -3.024900       1.065800      -1.467400    
 H   -4.604600      -1.770600       1.708000    
 H   -2.875300     -0.6230000      -4.022400    
 H   -2.472300       1.179100      -3.804400    
 H   -5.575800      -3.952400     -0.2171000    
 H   -6.560600      -3.003200       1.042300    


%chk=000114325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114325

0 1
S 0.559111 2.467042 -1.749695
F 6.075356 -1.070868 0.178271
F 4.889740 -1.138920 2.112880
F 4.427509 -2.607468 0.458015
N 0.095981 0.438783 0.506427
N -2.770733 -1.927696 -0.462285
C -0.396412 -0.814505 1.134109
C -0.330174 -2.028184 0.178378
C -1.369273 -1.925730 -0.961230
C 1.445934 0.505344 0.063093
C -0.659528 1.645851 0.656300
C 1.839085 1.442588 -0.939036
C -0.519063 2.705286 -0.281356
C 2.442820 -0.351180 0.593777
C -3.723602 -1.259420 -1.395308
C -3.242864 -3.285839 -0.076594
C -1.550949 1.839632 1.746253
C 3.774271 -0.285337 0.121512
C 3.175182 1.530784 -1.372869
C -1.240021 3.907231 -0.146791
C 4.155134 0.654517 -0.858736
C -2.303938 3.028297 1.862695
C -2.154966 4.068568 0.919158
C 4.773847 -1.242976 0.695624
C -3.471139 0.228017 -1.515129
C -4.483173 -3.240427 0.792761
C -3.380711 0.904902 -2.686726
C -5.594708 -3.993423 0.600166
H -1.463328 -0.672020 1.370789
H 0.137983 -1.027585 2.083682
H -0.503652 -2.941289 0.780792
H 0.676442 -2.136315 -0.265683
H -1.206197 -0.975247 -1.501011
H -1.193509 -2.751387 -1.694383
H 2.186943 -1.070640 1.375716
H -4.738922 -1.421511 -0.981130
H -3.711577 -1.729419 -2.410857
H -2.430022 -3.770683 0.499346
H -3.431066 -3.933862 -0.969492
H -1.649753 1.067534 2.514297
H 3.445609 2.272820 -2.130465
H -1.094741 4.707343 -0.880499
H 5.187465 0.701870 -1.213719
H -2.994338 3.144210 2.705083
H -2.731219 4.994398 1.012119
H -3.378926 0.766720 -0.560679
H -4.427351 -2.543829 1.642446
H -3.453743 0.393581 -3.655371
H -3.228497 1.989528 -2.709121
H -5.679865 -4.684810 -0.247991
H -6.448550 -3.943376 1.284866


