%chk=000238458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238458

0 1
S -3.565150 -0.002623 -1.608645
O 0.211055 -2.260034 -0.128327
O -0.795752 0.651372 -2.183600
O 0.170456 -1.262878 1.903502
N 0.434535 4.648555 1.772166
N 4.926881 -0.358958 -1.857198
C 0.328195 0.106394 -0.136256
C 0.367399 1.315263 0.822661
C 1.575941 -0.001592 -1.038373
C -0.924241 0.257668 -1.044421
C 0.228801 -1.174799 0.699206
C 0.512819 2.656178 0.090334
C 2.889840 -0.084174 -0.250466
C -2.240499 -0.032021 -0.489162
C -2.694341 -0.311456 0.777177
C 0.143101 -3.596920 0.476770
C 0.468823 3.764634 1.029122
C 4.022689 -0.236379 -1.148714
C -4.114201 -0.504809 0.830203
C -4.723780 -0.371199 -0.389248
C 1.502361 -3.984766 1.013990
H -0.551750 1.323920 1.449572
H 1.196730 1.184542 1.551193
H 1.596089 0.857125 -1.745070
H 1.468178 -0.899603 -1.690949
H 1.468032 2.690917 -0.487441
H -0.292024 2.781308 -0.676746
H 2.866611 -0.942463 0.464614
H 3.033473 0.826118 0.379574
H -2.074741 -0.384858 1.667055
H -0.171662 -4.194229 -0.399778
H -0.641227 -3.588813 1.253877
H -4.628304 -0.731482 1.755932
H -5.775023 -0.469745 -0.613288
H 1.523285 -5.037975 1.323748
H 2.291234 -3.848975 0.262201
H 1.775566 -3.382445 1.893083


%chk=000238458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238458

0 1
S -3.652938 0.137531 -1.700856
O 0.201336 -2.306918 -0.082566
O -0.746910 0.490222 -2.303295
O 0.294939 -1.233049 1.983170
N 0.307253 4.746501 1.757196
N 5.055660 -0.305798 -1.784782
C 0.331012 0.094932 -0.128408
C 0.323721 1.334585 0.824483
C 1.610267 0.017944 -1.023116
C -0.913201 0.179004 -1.085607
C 0.270565 -1.185944 0.729510
C 0.445556 2.687554 0.069637
C 2.927909 -0.034615 -0.201691
C -2.260517 -0.033085 -0.542651
C -2.722449 -0.345066 0.743522
C 0.156373 -3.646032 0.595182
C 0.369758 3.829146 0.996978
C 4.106091 -0.183039 -1.073030
C -4.147708 -0.454178 0.833933
C -4.789515 -0.226214 -0.379977
C 1.570516 -4.150183 0.889498
H -0.606134 1.337155 1.417396
H 1.143709 1.235363 1.556978
H 1.621718 0.877109 -1.713573
H 1.533928 -0.880740 -1.656595
H 1.402725 2.752191 -0.481023
H -0.357568 2.791130 -0.684448
H 2.914471 -0.883916 0.508976
H 3.061076 0.882276 0.403250
H -2.065039 -0.496514 1.602896
H -0.369889 -4.279176 -0.135769
H -0.440396 -3.545742 1.518594
H -4.678802 -0.688238 1.758994
H -5.857922 -0.244816 -0.591254
H 1.517548 -5.173591 1.304422
H 2.178865 -4.186304 -0.030568
H 2.073389 -3.508690 1.632889


