%chk=000228118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228118

0 1
S -2.609510 1.561659 -0.681648
S 2.599740 1.586446 0.586408
O -1.887545 1.420086 -1.942441
O -3.368166 2.775861 -0.454437
O 1.877154 1.524692 1.853270
O 3.364689 2.780821 0.286806
N -1.513949 1.415779 0.638576
N 1.503332 1.367182 -0.722924
C -0.491244 0.348344 0.593800
C 0.475177 0.309604 -0.614375
C -3.617641 0.172069 -0.485735
C 3.600576 0.182340 0.474630
C -1.056170 2.698762 1.225913
C 1.052052 2.614931 -1.386285
C -4.402071 0.025110 0.663303
C 4.383613 -0.037905 -0.663603
C -3.670176 -0.796693 -1.493799
C 3.648672 -0.723933 1.539426
C -5.280204 -2.067043 -0.198462
C 5.251462 -2.078595 0.322954
C -5.228159 -1.089414 0.810853
C 5.203877 -1.163556 -0.743653
C -4.494070 -1.913309 -1.353888
C 4.466748 -1.851210 1.467130
C -6.176276 -3.249712 -0.043388
C 6.141300 -3.273121 0.239326
H 0.099163 0.403191 1.548834
H -1.033806 -0.626162 0.632961
H 1.012739 -0.668261 -0.594934
H -0.115098 0.310096 -1.571064
H -1.933838 3.270305 1.578022
H -0.484816 3.335335 0.519866
H -0.395783 2.507301 2.095794
H 0.390617 2.374997 -2.243248
H 1.932592 3.159825 -1.771883
H 0.484021 3.295628 -0.719824
H -4.372066 0.784088 1.451978
H 4.357073 0.672118 -1.496741
H -3.063177 -0.675758 -2.399921
H 3.042775 -0.545296 2.436707
H -5.837094 -1.198187 1.706228
H 5.811758 -1.329455 -1.630947
H -4.532047 -2.660919 -2.143511
H 4.501293 -2.549872 2.300523
H -6.118730 -3.681318 0.966318
H -7.227780 -2.966622 -0.210924
H -5.946469 -4.057477 -0.751255
H 6.077068 -3.767329 -0.740861
H 7.194885 -2.985316 0.384145
H 5.910911 -4.033404 0.997779


%chk=000228118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228118

0 1
S -2.652628 1.472785 -0.848136
S 2.638335 1.465534 0.754098
O -1.896632 1.065642 -2.250592
O -3.397779 2.914356 -0.697076
O 1.907133 1.160340 2.194466
O 3.361820 2.897428 0.467763
N -1.553867 1.324363 0.645354
N 1.499695 1.180359 -0.691519
C -0.600859 0.198744 0.612320
C 0.511004 0.101981 -0.494156
C -3.900079 0.098873 -0.514169
C 3.900148 0.086438 0.503002
C -1.183979 2.609463 1.274323
C 1.147187 2.402373 -1.445846
C -4.854622 0.295125 0.497777
C 4.863032 0.242152 -0.507966
C -3.859582 -1.043546 -1.325955
C 3.855199 -1.020568 1.362408
C -5.806177 -1.908103 -0.080080
C 5.812297 -1.933713 0.168074
C -5.806641 -0.724026 0.708183
C 5.818557 -0.782808 -0.667738
C -4.824548 -2.051134 -1.094165
C 4.823572 -2.035267 1.180221
C -6.856120 -2.980416 0.146011
C 6.863237 -3.014686 -0.006983
H -0.110964 0.213070 1.603637
H -1.181086 -0.744525 0.535869
H 1.064362 -0.835953 -0.279606
H 0.021793 -0.014507 -1.479211
H -1.986216 3.340283 1.071429
H -0.217750 3.028971 0.938288
H -1.124833 2.437647 2.363837
H 0.884377 2.080953 -2.468777
H 2.032921 3.058178 -1.485879
H 0.295828 2.978745 -1.038332
H -4.858662 1.214275 1.091672
H 4.872613 1.137143 -1.137689
H -3.112096 -1.125178 -2.121774
H 3.103189 -1.069963 2.156602
H -6.562405 -0.598017 1.492236
H 6.581226 -0.687848 -1.449469
H -4.815437 -2.954838 -1.714042
H 4.811209 -2.912208 1.837359
H -6.991205 -3.193279 1.221667
H -7.839116 -2.658015 -0.247567
H -6.589582 -3.924297 -0.358797
H 7.001380 -3.274526 -1.071924
H 7.845161 -2.675453 0.374905
H 6.594992 -3.935645 0.537746


