%chk=000217885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217885

0 1
I 1.303969 5.794504 0.640888
S 2.452250 -0.500629 -1.067483
N -1.045366 0.031565 0.602972
N -3.878925 0.104380 -0.046020
C 0.219227 0.441660 1.315777
C -2.093095 -0.371895 1.601624
C -1.604915 1.081995 -0.307858
C -3.310023 -0.952159 0.854282
C -2.837377 0.516920 -1.043882
C 1.014708 -0.838991 1.684224
C 1.044239 1.419124 0.499497
C 0.835357 -1.927271 0.669201
C 1.929914 1.085634 -0.526561
C -5.096108 -0.406136 -0.744900
C 1.358106 -1.789918 -0.621170
C 0.878706 2.786212 0.824570
C 0.121784 -3.097362 0.984951
C 2.623450 2.089167 -1.233507
C 1.574889 3.761845 0.129357
C 1.149994 -2.765598 -1.602328
C 2.450934 3.431498 -0.907473
C -0.069190 -4.086765 0.019291
C 0.437647 -3.921551 -1.275885
H -0.024166 0.952045 2.293354
H -2.420565 0.474378 2.245073
H -1.668960 -1.155257 2.264061
H -0.834632 1.343627 -1.066409
H -1.882067 2.015717 0.227731
H -3.006846 -1.872418 0.307791
H -4.089520 -1.241547 1.589844
H -3.269659 1.311368 -1.688631
H -2.521246 -0.316782 -1.708913
H 0.693954 -1.185418 2.687307
H 2.092496 -0.591439 1.801803
H -5.516051 0.401627 -1.365809
H -5.859579 -0.661747 0.007112
H -4.931829 -1.285016 -1.385367
H 0.194413 3.065618 1.629725
H -0.288854 -3.229556 1.983057
H 3.304356 1.824126 -2.047793
H 1.538738 -2.632238 -2.612941
H 2.991412 4.204658 -1.456083
H -0.620247 -4.991414 0.272459
H 0.274479 -4.690564 -2.027536


%chk=000217885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217885

0 1
I 2.347695 5.647317 1.195514
S 1.348540 -0.390748 -1.753171
N -1.214150 0.184528 0.418320
N -4.067851 0.123376 -0.162589
C 0.007830 0.555321 1.183414
C -2.158584 -0.620426 1.237869
C -1.919678 1.364610 -0.151058
C -3.371222 -1.056145 0.400681
C -3.128441 0.919122 -0.987122
C 0.812175 -0.703062 1.656206
C 0.920239 1.505365 0.412013
C 0.838802 -1.905798 0.723079
C 1.592603 1.146675 -0.785559
C -5.291436 -0.244927 -0.899513
C 1.078675 -1.861192 -0.675217
C 1.163826 2.790774 0.959881
C 0.640950 -3.187992 1.307895
C 2.465917 2.069865 -1.414662
C 2.027577 3.703671 0.323027
C 1.109314 -3.057151 -1.441272
C 2.685567 3.354560 -0.874460
C 0.675234 -4.380419 0.558197
C 0.909317 -4.311449 -0.833777
H -0.282048 1.102732 2.120664
H -2.518788 -0.034356 2.122211
H -1.645295 -1.525242 1.604584
H -1.221615 1.922757 -0.797914
H -2.272717 2.054823 0.656696
H -3.018212 -1.750647 -0.404050
H -4.077334 -1.611881 1.046420
H -3.657496 1.814233 -1.365014
H -2.760214 0.335256 -1.869120
H 0.402352 -1.041356 2.625442
H 1.845108 -0.364984 1.869583
H -5.803498 0.669414 -1.249855
H -5.981419 -0.787186 -0.227928
H -5.094561 -0.894229 -1.790797
H 0.654674 3.068880 1.888348
H 0.458134 -3.237576 2.389033
H 2.990100 1.778578 -2.331189
H 1.298919 -3.001761 -2.519644
H 3.365252 4.050361 -1.373637
H 0.521207 -5.346372 1.050505
H 0.940355 -5.221323 -1.442631


