%chk=000233018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233018

0 1
S -0.043569 1.739228 0.425884
O 1.920123 -2.094405 0.824802
O 0.060750 3.191063 0.406114
O 0.612031 0.987151 1.473564
N 0.534598 1.215488 -1.124259
C 1.318171 -0.047638 -1.245194
C 0.411524 -1.212776 -0.909084
C 2.585731 -0.067412 -0.413793
C 0.746609 -2.142369 0.086401
C 2.804438 -1.045658 0.566089
C 0.993135 2.294982 -2.034998
C -0.787972 -1.414090 -1.610602
C 3.595281 0.890905 -0.596145
C -1.714732 1.305956 0.385687
C -0.076165 -3.235446 0.410996
C 3.961927 -1.093643 1.360317
C -1.616065 -2.496467 -1.311519
C 4.757434 0.866138 0.174391
C -1.260546 -3.402153 -0.300535
C 4.936360 -0.120952 1.155752
C -2.142195 0.101743 0.953781
C -2.648082 2.175311 -0.190324
C -3.495846 -0.239723 0.940271
C -4.001193 1.840065 -0.209721
C -4.434209 0.626925 0.356529
C -5.885443 0.278783 0.345453
H 1.620170 -0.154580 -2.329714
H 2.069992 2.528076 -1.930701
H 0.438776 3.233455 -1.838957
H 0.796647 2.001841 -3.079674
H -1.073722 -0.703260 -2.388712
H 3.458544 1.675461 -1.346340
H 0.227001 -3.922335 1.198123
H 4.067757 -1.867961 2.116645
H -2.542628 -2.638647 -1.862792
H 5.525683 1.621091 0.022725
H -1.914232 -4.243990 -0.072293
H 5.842040 -0.125717 1.762047
H -1.414139 -0.577244 1.415675
H -2.318335 3.128564 -0.617202
H -3.819540 -1.178031 1.385726
H -4.723106 2.520153 -0.656384
H -6.344185 0.460839 -0.636893
H -6.075203 -0.772768 0.599062
H -6.438618 0.889545 1.076301


%chk=000233018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233018

0 1
S -0.166950 1.295104 0.641545
O 2.257152 -2.041039 0.991099
O 0.247890 2.848425 0.943452
O 0.282542 0.094368 1.643085
N 0.354855 0.836837 -1.164305
C 1.379851 -0.291022 -1.245880
C 0.710266 -1.610295 -0.891368
C 2.694898 -0.102455 -0.495610
C 1.154815 -2.397896 0.196931
C 3.033103 -0.932577 0.603879
C 0.699960 2.104206 -1.866499
C -0.396731 -2.075833 -1.640411
C 3.627737 0.899284 -0.868118
C -2.043684 1.255129 0.469438
C 0.513028 -3.606113 0.546734
C 4.208564 -0.728406 1.356553
C -1.047201 -3.283222 -1.313826
C 4.812997 1.112219 -0.136151
C -0.589023 -4.047628 -0.210429
C 5.093918 0.303574 0.992381
C -2.693195 0.011819 0.494452
C -2.719588 2.480484 0.361506
C -4.102077 0.007210 0.392537
C -4.127686 2.447641 0.259485
C -4.836907 1.216811 0.272503
C -6.352633 1.200740 0.189502
H 1.586805 -0.286708 -2.338098
H 1.507857 2.691657 -1.389757
H -0.200579 2.739115 -1.921426
H 0.997286 1.835803 -2.896888
H -0.759194 -1.458477 -2.470437
H 3.423982 1.517778 -1.748891
H 0.887979 -4.171965 1.404465
H 4.408509 -1.387040 2.206671
H -1.900150 -3.627210 -1.908013
H 5.511817 1.898010 -0.440360
H -1.087592 -4.986063 0.055707
H 6.006444 0.466792 1.575498
H -2.124260 -0.917498 0.597700
H -2.159372 3.421155 0.380604
H -4.635692 -0.949879 0.409744
H -4.681846 3.389818 0.175180
H -6.723528 1.905792 -0.575901
H -6.735823 0.195894 -0.056556
H -6.803548 1.501158 1.154773


