%chk=000278250.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278250

0 1
S 4.788184 0.197234 -1.470771
O 6.042868 -0.458228 -1.784877
O 3.850489 0.530850 -2.523929
O -2.400068 3.646612 0.765167
O -2.000867 -2.344195 0.094012
O -4.566365 2.390311 0.181165
N 0.291655 -1.199103 0.603397
N 5.184204 1.681526 -0.693384
C -1.815927 -0.001223 0.365044
C -2.526944 1.242923 0.402944
C -0.427551 -0.010776 0.610132
C 3.913485 -0.732349 -0.275145
C 1.723704 -1.284331 0.619413
C -4.006166 -1.164668 -0.248314
C -2.548204 -1.244035 0.074786
C -4.692726 0.061198 -0.218095
C 4.519074 -1.597279 0.641014
C -3.972157 1.312546 0.129199
C 2.517763 -0.593666 -0.301654
C -1.841851 2.418578 0.696466
C 0.250007 1.231603 0.924747
C 2.327067 -2.147312 1.563475
C 3.704323 -2.298169 1.563856
C -0.428990 2.409766 0.966941
C -4.693984 -2.337211 -0.582434
C -6.059370 0.108635 -0.519342
C 5.989415 -1.821551 0.704264
C -6.059988 -2.286376 -0.885358
C 4.046702 2.570235 -0.370240
C 6.241596 1.637327 0.338661
C -6.741322 -1.067161 -0.853416
H -0.224762 -2.095745 0.462298
H 2.041776 0.038543 -1.065440
H 1.317530 1.202786 1.152352
H 1.707168 -2.690946 2.279488
H 4.171752 -2.971376 2.283628
H 0.049831 3.362136 1.204666
H -4.151292 -3.287954 -0.602712
H -6.581231 1.070227 -0.490494
H 6.475899 -1.787706 -0.296578
H 6.494681 -1.066201 1.321471
H 6.251063 -2.802992 1.124061
H 3.460358 2.251464 0.505412
H 3.377900 2.644683 -1.251393
H 4.418613 3.592954 -0.176920
H 7.094839 1.037901 -0.035643
H 5.908797 1.234767 1.308271
H 6.630864 2.657667 0.511383
H -6.590661 -3.202689 -1.146529
H -7.805274 -1.028210 -1.088948
H -3.422907 3.626780 0.568604


%chk=000278250-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278250

0 1
S 4.945325 0.609266 -1.323265
O 6.206881 -0.162318 -1.994416
O 3.861270 1.420347 -2.225991
O -2.829006 3.751678 -0.124357
O -1.948748 -2.293229 0.405873
O -4.876704 2.351049 -0.327874
N 0.229527 -0.926180 0.500292
N 5.706568 1.951980 -0.224894
C -1.947370 0.118497 0.187659
C -2.737392 1.311843 0.020900
C -0.518815 0.231884 0.343751
C 3.897303 -0.620839 -0.248927
C 1.627687 -1.115179 0.477502
C -4.078949 -1.249887 -0.003820
C -2.609262 -1.189906 0.204927
C -4.849833 -0.061983 -0.188089
C 4.467144 -1.731710 0.417871
C -4.185945 1.253051 -0.170420
C 2.529049 -0.304918 -0.263369
C -2.114448 2.598776 0.034632
C 0.067576 1.547542 0.393088
C 2.154708 -2.244774 1.165162
C 3.526961 -2.542276 1.117339
C -0.704114 2.693863 0.244024
C -4.728849 -2.510063 -0.016727
C -6.252226 -0.148809 -0.382615
C 5.937241 -2.108825 0.416590
C -6.120930 -2.588395 -0.212868
C 4.656390 2.757014 0.435332
C 6.767417 1.423038 0.657315
C -6.885350 -1.405506 -0.396249
H -0.393074 -1.775768 0.573496
H 2.185111 0.504406 -0.915447
H 1.137200 1.651692 0.587596
H 1.473369 -2.892088 1.728234
H 3.898986 -3.429774 1.641737
H -0.256609 3.690592 0.291849
H -4.118630 -3.406489 0.127567
H -6.814575 0.779715 -0.519462
H 6.400860 -1.925773 -0.566586
H 6.504170 -1.522112 1.164331
H 6.055434 -3.173395 0.679341
H 4.191045 2.260315 1.317377
H 3.884776 3.012799 -0.309792
H 5.127798 3.698495 0.771427
H 7.397525 0.725869 0.080550
H 6.385803 0.924692 1.577135
H 7.399348 2.278251 0.959226
H -6.616700 -3.564861 -0.224704
H -7.967753 -1.472366 -0.548066
H -3.834187 3.458565 -0.249486


