%chk=000260993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260993

0 1
S 2.621693 -1.552856 -0.205031
O 0.460000 -2.039345 -0.119730
O 0.493562 2.557758 -0.201116
N 0.559230 0.239046 0.002858
N 2.897222 1.042662 0.064376
C -2.245030 0.317269 -0.626729
C -1.700306 -0.921081 0.178442
C -1.611933 1.453410 0.241155
C -1.925660 -0.528664 1.667033
C -1.846187 1.011268 1.705022
C -0.174832 -1.002814 -0.005325
C -1.796325 0.348579 -2.086491
C -3.774299 0.405169 -0.587162
C -2.321278 -2.253044 -0.199708
C -0.110746 1.541839 -0.008662
C 1.970557 0.112842 -0.034623
C 4.233013 -0.884744 -0.152736
C 4.188748 0.468260 -0.008003
H -2.064589 2.445044 0.026675
H -1.183628 -0.998451 2.335022
H -2.908521 -0.889275 2.016251
H -2.779348 1.452763 2.095750
H -1.042271 1.364469 2.375164
H -0.714669 0.254719 -2.233665
H -2.256845 -0.465315 -2.661405
H -2.092416 1.288281 -2.571751
H -4.236300 -0.409701 -1.157681
H -4.175091 0.355242 0.430842
H -4.127831 1.345324 -1.028199
H -2.210024 -2.462769 -1.272098
H -1.837895 -3.087293 0.332058
H -3.391043 -2.287675 0.035701
H 5.097327 -1.518354 -0.225347
H 5.026914 1.155138 0.058615


%chk=000260993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260993

0 1
S 2.893424 -0.192516 -1.631805
O 0.365442 -2.219688 0.028437
O 0.691832 2.423156 -0.364222
N 0.558519 0.105212 -0.040898
N 2.740630 0.039473 1.022168
C -2.234997 0.262935 -0.672627
C -1.734508 -0.926650 0.240732
C -1.530433 1.453321 0.057619
C -1.927382 -0.359266 1.701911
C -1.816141 1.192389 1.577450
C -0.214149 -1.108524 0.056277
C -1.840139 0.125288 -2.163495
C -3.773576 0.436025 -0.598376
C -2.434641 -2.276598 0.021691
C -0.024899 1.417288 -0.152276
C 1.979626 -0.000162 -0.052566
C 4.387842 -0.211266 -0.651449
C 4.095777 -0.080317 0.697100
H -1.881665 2.442153 -0.279433
H -1.180545 -0.779573 2.397342
H -2.921344 -0.665252 2.074530
H -2.760083 1.687692 1.862664
H -1.022675 1.613302 2.217830
H -0.752296 0.013818 -2.317747
H -2.333831 -0.754519 -2.614779
H -2.166474 1.016988 -2.729442
H -4.286586 -0.388966 -1.123456
H -4.154995 0.466786 0.436504
H -4.067633 1.379175 -1.095591
H -2.313839 -2.633044 -1.016664
H -1.999218 -3.047894 0.678406
H -3.512161 -2.192637 0.244549
H 5.358849 -0.316345 -1.130281
H 4.833470 -0.064081 1.499398


