%chk=000266873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266873

0 1
S 4.418560 -1.268233 -0.755614
S -3.038154 0.425920 0.829501
O -2.267377 -0.722429 -0.180312
O 5.586169 -1.987085 -0.285307
O 3.964408 -1.407971 -2.120260
O -2.490588 1.707497 0.475557
O -2.905229 -0.079429 2.173027
N 3.176650 -1.831020 0.302212
C 4.561952 0.398230 -0.362781
C 1.788925 -1.560897 0.164913
C -4.630154 0.234276 0.237545
C 5.571758 0.821651 0.509931
C 3.679553 1.338062 -0.910629
C -0.916208 -0.962972 -0.011967
C 4.805677 3.113630 0.301389
C 1.229355 -1.206419 -1.079583
C 0.969530 -1.641890 1.314527
C 5.696283 2.170065 0.842495
C 3.796478 2.687040 -0.581363
C -0.125102 -0.895495 -1.167730
C -0.387541 -1.345641 1.228893
C -5.474717 -0.735868 0.794054
C -5.092508 1.042811 -0.809635
C -7.237328 -0.090155 -0.743823
C -6.771242 -0.897762 0.309564
C -6.388096 0.885113 -1.297813
C 4.918790 4.557914 0.654494
C -8.627277 -0.255067 -1.256649
H 3.432150 -2.441124 1.088038
H 6.273857 0.091100 0.930388
H 2.893756 1.018013 -1.604208
H 1.839220 -1.206488 -1.991308
H 1.395070 -1.931198 2.273340
H 6.484322 2.489754 1.521749
H 3.102226 3.411295 -1.005164
H -0.578417 -0.617872 -2.118108
H -1.029217 -1.400655 2.114186
H -5.118655 -1.366652 1.617340
H -4.436268 1.806796 -1.243641
H -7.423138 -1.652304 0.747151
H -6.741968 1.517640 -2.110407
H 4.014017 4.911742 1.173797
H 5.770938 4.776509 1.311944
H 5.036423 5.184322 -0.242872
H -8.726829 0.035303 -2.312308
H -8.986301 -1.291298 -1.176569
H -9.330353 0.371939 -0.684683


%chk=000266873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266873

0 1
S 4.887911 -0.892105 -1.374310
S -1.780008 0.801145 0.064198
O -1.471935 -1.372597 0.238227
O 6.400963 -1.013481 -0.791654
O 4.541731 -0.942157 -2.954867
O -1.138493 1.230732 -1.387234
O -1.352058 1.666525 1.395311
N 3.944563 -2.505456 -0.532942
C 3.991180 0.559987 -0.588175
C 2.578025 -2.317901 -0.310427
C -3.649863 0.829940 -0.079125
C 4.454566 1.035896 0.650109
C 2.832985 1.041782 -1.224306
C -0.183104 -1.725980 0.056298
C 2.488326 2.532051 0.710052
C 1.721477 -2.136004 -1.448225
C 2.017699 -2.267962 1.012064
C 3.692452 2.041862 1.285538
C 2.081702 2.030231 -0.557054
C 0.370901 -1.834377 -1.268825
C 0.665939 -1.972905 1.191518
C -4.400958 1.080580 1.081153
C -4.225653 0.579894 -1.335884
C -6.443114 0.848991 -0.285732
C -5.807654 1.090956 0.961406
C -5.634219 0.596077 -1.426009
C 1.623482 3.543916 1.431914
C -7.955103 0.887992 -0.404156
H 4.515593 -2.654608 0.320396
H 5.379027 0.649137 1.091519
H 2.524042 0.655875 -2.199685
H 2.159585 -2.219771 -2.447901
H 2.671774 -2.422226 1.879375
H 4.029838 2.438261 2.249798
H 1.149684 2.380942 -1.012249
H -0.291655 -1.660543 -2.122172
H 0.227682 -1.887298 2.191183
H -3.902920 1.274296 2.036277
H -3.597372 0.396977 -2.212823
H -6.418389 1.286982 1.850085
H -6.109939 0.406943 -2.395042
H 0.620558 3.114443 1.622341
H 2.063902 3.849133 2.395974
H 1.474952 4.452429 0.819223
H -8.316559 0.228665 -1.211980
H -8.444399 0.580321 0.536044
H -8.303747 1.913107 -0.635925


