%chk=000262552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262552

0 1
S 2.306096 0.492949 -0.699370
O -3.430289 -0.592367 -1.151985
O -1.953621 3.831877 1.552012
N -0.421144 0.087721 -0.806874
N 0.217582 1.991635 0.299999
N -3.888552 1.207654 0.158797
N -3.504980 2.504915 0.583400
C -1.579000 0.729017 -0.367674
C -0.378421 -1.203711 -1.523825
C 0.646107 0.882384 -0.372198
C -1.159833 1.903673 0.304712
C -0.334466 -2.360110 -0.553517
C 3.173475 2.010785 -0.167125
C 4.649254 1.790670 -0.453542
C -2.981220 0.367539 -0.548957
C -2.133963 2.824983 0.907452
C 5.316033 0.825495 0.537701
C -1.534932 -2.921723 -0.094783
C 0.894030 -2.877329 -0.120850
C 6.812348 0.692913 0.266366
C -1.503301 -4.000176 0.792429
C 0.918575 -3.956523 0.767471
C -0.277780 -4.518734 1.224157
H 0.500881 -1.214730 -2.212124
H -1.293243 -1.277312 -2.172660
H 2.971125 2.202904 0.906580
H 2.769373 2.884114 -0.716956
H 4.808940 1.437822 -1.493688
H 5.165551 2.775459 -0.408790
H 5.153271 1.179592 1.575420
H 4.837813 -0.172756 0.485317
H -4.869326 1.184176 -0.169981
H -4.208123 2.913259 1.225015
H -2.494234 -2.513465 -0.430403
H 1.830292 -2.441635 -0.467996
H 7.281679 0.001349 0.976095
H 7.329741 1.654733 0.359848
H 7.010572 0.309866 -0.741210
H -2.435931 -4.435998 1.148431
H 1.872780 -4.357778 1.105512
H -0.255460 -5.358937 1.916390


%chk=000262552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262552

0 1
S 2.305786 0.378109 -0.705779
O -3.509089 -0.595018 -1.191328
O -1.814923 4.001557 1.446957
N -0.484532 0.067956 -0.776493
N 0.224937 1.982787 0.265535
N -3.874827 1.386170 -0.028070
N -3.435429 2.559609 0.628071
C -1.628106 0.759796 -0.365639
C -0.434577 -1.253041 -1.470300
C 0.604457 0.848760 -0.369854
C -1.165914 1.933078 0.269466
C -0.381558 -2.442862 -0.514915
C 3.151988 1.982099 -0.089614
C 4.661597 1.897512 -0.350476
C -3.028146 0.419719 -0.581782
C -2.085695 2.929296 0.835860
C 5.395080 0.788451 0.439938
C -1.586218 -3.029216 -0.048124
C 0.860948 -2.980723 -0.094124
C 6.921479 0.819818 0.213735
C -1.544496 -4.130066 0.836116
C 0.900989 -4.081572 0.790751
C -0.302238 -4.657682 1.259647
H 0.456612 -1.229233 -2.123078
H -1.338767 -1.305905 -2.097634
H 2.905304 2.070289 0.979947
H 2.668983 2.808464 -0.633309
H 4.854180 1.778009 -1.435371
H 5.088596 2.881951 -0.066983
H 5.173563 0.906456 1.519600
H 4.996098 -0.203187 0.148311
H -4.883095 1.271166 -0.153882
H -4.160172 3.169602 1.013131
H -2.545018 -2.617500 -0.384403
H 1.796428 -2.537068 -0.454914
H 7.428383 0.019811 0.783046
H 7.351253 1.787234 0.535538
H 7.168776 0.681678 -0.855796
H -2.479338 -4.579001 1.190154
H 1.866129 -4.490081 1.110541
H -0.271728 -5.513022 1.944117


