%chk=000248487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248487

0 1
S 4.041080 2.365827 0.400815
O 2.179733 -1.485515 -1.499491
O -1.164296 -0.872805 1.711391
O 2.777066 -2.792509 0.217823
O -5.877846 -0.052895 0.201605
O -4.646930 1.396921 -0.979325
N 0.189678 -0.391325 -0.055135
C 1.409908 -0.787342 0.668899
C 2.321035 0.407592 1.018003
C 2.752533 1.220266 -0.192957
C -2.223656 -0.012923 -0.296209
C -1.064503 -0.469339 0.566653
C 2.189320 -1.812557 -0.159288
C -3.551476 -0.327878 0.389842
C -4.671674 0.453519 -0.224401
C 4.493082 3.245817 -1.109356
H 1.104866 -1.301373 1.637633
H 1.780761 1.057054 1.743861
H 3.206435 0.021441 1.573846
H 0.318300 -0.046487 -1.003393
H 3.152590 0.575729 -1.000452
H 1.910198 1.791744 -0.622301
H -2.145342 1.084246 -0.487759
H -2.189604 -0.486006 -1.300584
H -3.491414 -0.102382 1.486117
H -3.772359 -1.419648 0.362629
H 4.891765 2.572044 -1.874794
H 5.281005 3.967344 -0.849509
H 3.649721 3.803744 -1.529007
H 2.671217 -2.147933 -2.057477
H -6.656893 0.445929 -0.165981


%chk=000248487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248487

0 1
S 3.613955 2.624117 0.600960
O 1.937129 -2.089514 -1.583407
O -0.923867 -0.206150 1.784351
O 3.383098 -2.537849 0.180942
O -5.798365 0.205221 0.261387
O -4.465605 1.609537 -1.017895
N 0.237026 -0.694069 -0.162498
C 1.465073 -1.039765 0.566199
C 2.277197 0.211376 1.038752
C 2.776006 1.087134 -0.120821
C -2.100056 0.062340 -0.366158
C -0.899344 -0.295168 0.516385
C 2.361880 -1.966249 -0.246280
C -3.422425 -0.139253 0.392885
C -4.558348 0.655092 -0.212997
C 4.044154 3.493021 -1.011775
H 1.173944 -1.582038 1.487478
H 1.609258 0.791990 1.699400
H 3.130631 -0.144769 1.644094
H 0.226397 -0.829784 -1.175357
H 3.518204 0.555409 -0.743991
H 1.935890 1.420607 -0.755483
H -2.018556 1.128579 -0.655341
H -2.088418 -0.518493 -1.307310
H -3.279693 0.191576 1.441615
H -3.714341 -1.202067 0.452079
H 4.723244 2.870176 -1.616298
H 4.553742 4.429619 -0.736856
H 3.129323 3.726289 -1.580331
H 2.558379 -2.688497 -2.078387
H -6.521210 0.771884 -0.123643


