%chk=000238659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238659

0 1
S -0.931401 2.150680 0.831247
O 2.903498 -0.582198 -1.048061
O 0.024863 -0.418060 1.409253
O -0.028631 -2.627835 1.815921
N 3.163102 2.054279 -1.835134
N 2.594710 -0.157041 1.183878
C 1.625272 2.498333 0.063958
C 2.895243 1.758855 -0.408676
C 0.331254 1.888878 -0.461478
C 2.774209 0.237638 -0.155648
C -2.502699 1.911537 -0.058695
C -2.731818 0.444869 -0.201243
C 2.128934 -1.530748 1.446127
C -3.343256 -0.277110 0.837664
C -2.309100 -0.229588 -1.358109
C -3.511160 -1.659536 0.724732
C -2.481299 -1.612154 -1.464407
C -3.077119 -2.330502 -0.423020
C 0.620240 -1.638107 1.578785
H 1.700056 3.561074 -0.264554
H 1.636307 2.545330 1.173817
H 3.776517 2.142876 0.178995
H 0.022431 2.360653 -1.411009
H 0.411682 0.799112 -0.652446
H -3.288109 2.405965 0.551485
H -2.497188 2.442623 -1.028851
H 3.979407 1.534544 -2.158893
H 2.384411 1.757603 -2.419699
H 2.239299 0.530542 1.853587
H 2.607681 -1.913481 2.380509
H 2.466917 -2.215474 0.618290
H -3.691393 0.238690 1.731035
H -1.846874 0.320009 -2.175340
H -3.978643 -2.217767 1.535806
H -2.146511 -2.132538 -2.361480
H -3.198891 -3.409661 -0.502747
H -0.982542 -0.454994 1.463901


%chk=000238659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238659

0 1
S -1.262178 2.946669 0.107861
O 3.315820 -0.326586 -1.154833
O -0.089546 -1.268865 1.238098
O 0.488435 -3.500216 0.898264
N 3.148842 2.343665 -1.451371
N 2.394159 -0.341888 0.978654
C 1.473643 2.438107 0.404316
C 2.832405 1.856527 -0.106587
C 0.278302 1.987057 -0.448383
C 2.858211 0.305563 -0.152589
C -2.599418 2.020013 -0.888251
C -2.794322 0.582545 -0.457393
C 2.262817 -1.795349 1.022339
C -3.300685 0.272324 0.833075
C -2.466321 -0.483758 -1.334402
C -3.475392 -1.069955 1.236205
C -2.635430 -1.830564 -0.935236
C -3.137454 -2.130418 0.354232
C 0.817121 -2.302465 1.030585
H 1.563500 3.541087 0.365141
H 1.306359 2.180430 1.470680
H 3.604138 2.148311 0.648128
H 0.475408 2.210231 -1.509705
H 0.070608 0.912237 -0.311692
H -3.504016 2.627584 -0.712112
H -2.333365 2.092059 -1.956029
H 3.632608 3.241343 -1.491475
H 3.541936 1.613368 -2.056087
H 1.905919 0.200770 1.692255
H 2.769728 -2.222719 1.908833
H 2.764649 -2.204723 0.127986
H -3.540196 1.088806 1.523839
H -2.072256 -0.258740 -2.332757
H -3.875107 -1.293998 2.231554
H -2.367084 -2.642546 -1.619309
H -3.274033 -3.172177 0.662911
H -1.038407 -1.586433 1.172751


