%chk=000217889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217889

0 1
S -0.993109 1.460387 1.667232
N -0.970433 -1.034249 -0.451853
N -1.669115 -3.808622 0.085188
C -0.286422 0.072723 -1.207263
C -1.898154 -1.798974 -1.352940
C 0.021170 -1.988094 0.150628
C -1.287610 1.178247 -1.635746
C -2.655195 -2.854984 -0.523080
C -0.732094 -3.048813 0.977792
C 0.802184 0.719818 -0.371775
C -2.486338 1.347030 -0.750772
C 0.535288 1.405869 0.813961
C 2.123866 0.672611 -0.848419
C -2.381590 -4.867674 0.861309
C -2.416090 1.468927 0.638762
C 3.162166 1.301403 -0.152329
C 1.567558 2.050906 1.514463
C 4.574088 1.232405 -0.666014
C -3.755482 1.404007 -1.365134
C 2.874654 1.994542 1.036674
C 5.302473 0.007236 -0.090735
C -3.582216 1.629148 1.408726
C -4.912831 1.570795 -0.608836
C -4.826922 1.680437 0.785427
C 6.746784 -0.079348 -0.601366
C 7.471540 -1.296524 -0.031692
H 0.181752 -0.325613 -2.152368
H -1.367712 -2.294674 -2.194891
H -2.636128 -1.092240 -1.788325
H 0.694897 -1.421613 0.830213
H 0.656757 -2.486313 -0.612678
H -1.609758 0.971048 -2.677543
H -0.749516 2.151782 -1.696564
H -3.289313 -2.344314 0.235170
H -3.330733 -3.430168 -1.190133
H -0.000346 -3.765880 1.405327
H -1.250516 -2.553320 1.828520
H 2.344971 0.135006 -1.769323
H -1.639630 -5.576149 1.262839
H -3.031416 -5.436132 0.177170
H -2.995558 -4.499344 1.696310
H 1.353981 2.600634 2.434159
H 4.583475 1.192565 -1.774128
H 5.126688 2.158032 -0.405214
H -3.831943 1.317190 -2.447524
H 3.674188 2.489851 1.584500
H 4.750233 -0.915265 -0.356125
H 5.293395 0.052186 1.015883
H -3.523587 1.715697 2.495799
H -5.883485 1.615026 -1.098371
H -5.729531 1.806476 1.379470
H 6.754327 -0.124568 -1.708094
H 7.298343 0.843002 -0.332835
H 6.972919 -2.231777 -0.311229
H 7.516227 -1.264921 1.063065
H 8.502153 -1.352110 -0.399987


%chk=000217889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217889

0 1
S -1.067227 1.374402 1.806772
N -0.970122 -1.133322 -0.444997
N -1.719406 -3.897182 0.079572
C -0.319260 0.000016 -1.155935
C -1.973700 -1.837450 -1.284175
C 0.006560 -2.112116 0.098892
C -1.356702 1.067065 -1.641297
C -2.691975 -2.922211 -0.466266
C -0.713178 -3.196987 0.913504
C 0.776758 0.664611 -0.325783
C -2.549148 1.365363 -0.739221
C 0.523412 1.347744 0.891545
C 2.101431 0.671475 -0.828538
C -2.378398 -5.000072 0.803724
C -2.504562 1.545043 0.669773
C 3.179370 1.296771 -0.156495
C 1.584323 1.991940 1.576207
C 4.597748 1.221073 -0.698137
C -3.814526 1.516830 -1.373705
C 2.896550 1.959314 1.064242
C 5.415000 0.054007 -0.074841
C -3.688164 1.856267 1.392603
C -4.991721 1.828512 -0.665030
C -4.925720 1.996975 0.736589
C 6.858124 -0.025435 -0.620746
C 7.669222 -1.183895 -0.001028
H 0.186177 -0.375510 -2.087050
H -1.490607 -2.313757 -2.176435
H -2.727276 -1.114688 -1.639067
H 0.717983 -1.582128 0.754752
H 0.589007 -2.603148 -0.722636
H -1.755064 0.752164 -2.623430
H -0.788256 1.998282 -1.833251
H -3.275349 -2.421107 0.348313
H -3.405784 -3.459189 -1.119519
H 0.028080 -3.936945 1.270491
H -1.184448 -2.717060 1.809054
H 2.293610 0.155735 -1.779072
H -1.619325 -5.727027 1.145153
H -3.075831 -5.526089 0.126777
H -2.957399 -4.657643 1.699437
H 1.371218 2.532140 2.505149
H 4.579608 1.091144 -1.798164
H 5.133069 2.170480 -0.496952
H -3.863173 1.384339 -2.462332
H 3.701319 2.469030 1.607977
H 4.888904 -0.902419 -0.269779
H 5.440977 0.175298 1.027108
H -3.632009 1.995146 2.478696
H -5.943315 1.937346 -1.196073
H -5.823623 2.239348 1.315296
H 6.825444 -0.142845 -1.723392
H 7.375729 0.936448 -0.426254
H 7.190923 -2.159248 -0.210285
H 7.739984 -1.074998 1.097673
H 8.698040 -1.218533 -0.404112


