%chk=000005568.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005568

0 1
S -1.711183 3.248940 0.475552
F 4.850478 1.568046 -0.252525
F 4.131421 -0.037890 1.183283
F 3.904176 -0.337375 -1.045013
N -1.114045 0.172859 0.624474
N 0.327684 -4.613756 -0.283999
C -0.876840 -1.207881 1.115701
C -0.558196 -2.271263 0.026749
C 0.016370 1.002779 0.354725
C -2.434666 0.518224 0.204554
C 0.173408 -3.478207 0.651589
C -0.115472 2.416611 0.175407
C -2.835808 1.871280 0.025302
C 1.333159 0.465411 0.280039
C -3.408338 -0.487622 -0.041092
C 2.450569 1.296596 0.031482
C 0.999196 3.225983 -0.115960
C -4.133224 2.203171 -0.409053
C 2.297827 2.678547 -0.183740
C -4.721853 -0.155975 -0.436351
C 0.766689 -5.840780 0.415204
C 1.199549 -4.302027 -1.437238
C -5.093522 1.190386 -0.632441
C 3.802248 0.653309 -0.020682
H -0.038086 -1.158467 1.835034
H -1.763222 -1.515712 1.698730
H 0.057258 -1.813012 -0.767669
H -1.478185 -2.637386 -0.463207
H -0.411421 -3.840147 1.520956
H 1.167382 -3.135723 1.054978
H 1.505290 -0.602114 0.415942
H -3.144536 -1.542420 0.063212
H 0.851318 4.300094 -0.265866
H -4.395914 3.256840 -0.552423
H 3.162890 3.313371 -0.389279
H -5.446668 -0.959563 -0.604667
H 0.047226 -6.092347 1.215013
H 1.782469 -5.750333 0.877725
H 0.792224 -6.683804 -0.297944
H 1.267387 -5.188410 -2.092059
H 2.238476 -4.011963 -1.135751
H 0.772871 -3.478869 -2.034498
H -6.106583 1.453700 -0.951496


%chk=000005568-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000005568

0 1
S -1.682852 3.236443 0.516778
F 4.706613 1.176269 -0.752701
F 4.311509 0.302074 1.298640
F 3.692128 -0.848751 -0.547785
N -1.180980 0.152367 0.643245
N 0.442543 -4.548525 -0.291225
C -0.971966 -1.229250 1.142526
C -0.664150 -2.305650 0.059896
C -0.030769 0.941100 0.370359
C -2.487702 0.534793 0.206633
C 0.211343 -3.431861 0.649687
C -0.113596 2.357617 0.204629
C -2.846638 1.901195 0.035890
C 1.257259 0.349903 0.276408
C -3.484801 -0.441619 -0.068174
C 2.403646 1.136401 0.022403
C 1.028592 3.126809 -0.090710
C -4.127036 2.274771 -0.414928
C 2.303533 2.528878 -0.173186
C -4.782064 -0.067260 -0.479627
C 0.999765 -5.734965 0.394207
C 1.261782 -4.160373 -1.460303
C -5.111561 1.291570 -0.664330
C 3.742689 0.464965 -0.002549
H -0.132183 -1.187484 1.861680
H -1.864956 -1.514868 1.725783
H -0.157160 -1.825941 -0.796460
H -1.589454 -2.758386 -0.339231
H -0.296388 -3.847098 1.543205
H 1.182082 -2.990154 1.012254
H 1.382892 -0.728294 0.385224
H -3.249194 -1.503697 0.024175
H 0.921369 4.206704 -0.233282
H -4.357883 3.336777 -0.551158
H 3.190106 3.130905 -0.387620
H -5.527250 -0.846886 -0.670312
H 0.323276 -6.046995 1.210046
H 2.014993 -5.559688 0.832685
H 1.079019 -6.572417 -0.321536
H 1.400951 -5.038527 -2.114712
H 2.273315 -3.772566 -1.176152
H 0.750648 -3.382403 -2.051885
H -6.111669 1.587218 -0.995789


