%chk=000269089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269089

0 1
S -2.322841 2.890493 0.571660
O 1.358056 -2.908152 -0.355296
O -3.475688 -2.164465 -0.355499
N -3.280262 0.082660 0.149533
C 0.915418 0.587012 0.164384
C 0.342060 -0.712765 -0.022594
C 2.384630 0.463070 0.136885
C 2.720647 -0.911665 -0.069754
C 1.462913 -1.724043 -0.180868
C 0.096376 1.685452 0.330009
C -1.012911 -0.918042 -0.038806
C -1.866930 0.215331 0.137170
C -1.298166 1.488807 0.309300
C 3.378318 1.415870 0.273068
C 4.037237 -1.321451 -0.138955
C 4.722615 0.991360 0.201506
C 5.048658 -0.346650 -0.000265
C -4.013212 -1.112155 -0.087681
C -2.478463 3.585561 -1.092300
C -5.499439 -0.927365 0.023542
H 0.510261 2.683918 0.476861
H -1.433798 -1.923942 -0.185081
H 3.141184 2.464188 0.432635
H 4.290487 -2.370657 -0.296347
H 5.515737 1.732548 0.307780
H 6.092472 -0.652413 -0.052178
H -3.813684 0.938043 0.367845
H -2.907271 2.868448 -1.799818
H -1.510085 3.918681 -1.482541
H -3.142795 4.457286 -1.029789
H -5.810654 -0.610690 1.028986
H -6.009917 -1.885227 -0.180189
H -5.892653 -0.198346 -0.697703


%chk=000269089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269089

0 1
S -2.405886 2.958930 0.562101
O 1.403115 -2.944055 -0.390389
O -3.593287 -2.198759 -0.330723
N -3.270799 0.077645 0.158036
C 0.954984 0.589358 0.176461
C 0.386966 -0.702898 -0.027206
C 2.435448 0.470296 0.155329
C 2.773060 -0.900022 -0.064918
C 1.507065 -1.703889 -0.191241
C 0.107040 1.694245 0.354034
C -0.992938 -0.927641 -0.049156
C -1.861266 0.192442 0.135878
C -1.294336 1.496535 0.321714
C 3.451793 1.429609 0.308495
C 4.107197 -1.328478 -0.134604
C 4.804464 1.000021 0.238513
C 5.133143 -0.360420 0.019863
C -4.062279 -1.057388 -0.051687
C -2.619237 3.476425 -1.253769
C -5.562355 -0.812207 0.088433
H 0.496740 2.703703 0.518802
H -1.413975 -1.923744 -0.201940
H 3.219359 2.486356 0.480039
H 4.338636 -2.385294 -0.303867
H 5.608939 1.734733 0.356547
H 6.184573 -0.662699 -0.029053
H -3.746901 0.961900 0.388160
H -3.047312 2.646488 -1.835728
H -1.642679 3.770647 -1.664785
H -3.306520 4.336774 -1.251546
H -5.949085 -1.425502 0.921071
H -6.068200 -1.155519 -0.829991
H -5.827168 0.243112 0.272628


