%chk=000266882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266882

0 1
S 0.283670 -0.711589 -1.051607
O 0.662432 0.028195 -2.229155
O -0.998272 -1.407342 -1.014678
O -1.758073 2.459571 -0.402424
N 0.207995 0.350377 0.309331
C -1.097839 0.562551 0.976355
C 1.261112 1.325214 0.484654
C 1.548747 -1.800868 -0.632644
C -0.945086 1.215697 2.350253
C -2.085302 1.441051 0.158352
C -3.502254 0.959017 0.172256
C 2.408311 0.918912 1.191586
C 1.169680 2.625699 -0.035874
C 1.269239 -2.942368 0.127344
C 2.857055 -1.555791 -1.067145
C 3.606936 -3.585460 0.031158
C 2.290703 -3.830636 0.461888
C 3.883303 -2.439784 -0.735863
C 3.461894 1.819229 1.362766
C 2.230835 3.514114 0.146921
C -4.507593 1.806020 0.659718
C -3.825080 -0.309991 -0.324571
C 3.376856 3.114967 0.842984
C 4.704681 -4.526568 0.396989
C -5.834949 1.370526 0.672746
C -5.156611 -0.735760 -0.318392
C -6.159186 0.099765 0.183977
H -1.552574 -0.464544 1.104421
H -1.899241 1.237350 2.889609
H -0.575466 2.248786 2.275001
H -0.223127 0.665911 2.968858
H 2.469600 -0.086109 1.604671
H 0.270249 2.935041 -0.584150
H 0.243163 -3.145986 0.453709
H 3.076484 -0.669591 -1.675638
H 2.066841 -4.716784 1.052676
H 4.898350 -2.242792 -1.076333
H 4.352354 1.510006 1.907498
H 2.163420 4.522751 -0.260211
H -4.252296 2.803140 1.018214
H -3.038380 -0.963423 -0.730990
H 4.200852 3.811896 0.979593
H 5.500080 -4.560626 -0.361211
H 5.177904 -4.223665 1.344457
H 4.349440 -5.557997 0.531755
H -6.617334 2.023333 1.054843
H -5.410056 -1.719697 -0.710133
H -7.195069 -0.236151 0.190037


%chk=000266882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266882

0 1
S -0.277314 -1.426681 -0.193291
O -0.532779 -0.826169 -1.691411
O -1.351676 -2.479072 0.454960
O -1.875973 2.434448 2.224582
N -0.048234 -0.088911 1.185285
C -1.280667 0.084170 2.031669
C 0.737203 1.038516 0.742357
C 1.428898 -2.210830 -0.184272
C -0.831278 0.169457 3.504872
C -2.116082 1.335751 1.639760
C -3.173705 1.251684 0.579479
C 1.979028 1.251558 1.396016
C 0.334293 1.902139 -0.312099
C 1.733907 -3.134378 0.829180
C 2.317324 -1.862200 -1.211447
C 3.957172 -3.408972 -0.206918
C 3.011417 -3.731716 0.805504
C 3.592457 -2.472811 -1.208654
C 2.793968 2.343164 1.026988
C 1.165982 2.977071 -0.690042
C -3.813791 2.464560 0.192379
C -3.571377 0.033058 -0.037099
C 2.390030 3.206000 -0.018711
C 5.320243 -4.076225 -0.222982
C -4.822491 2.461914 -0.787885
C -4.584552 0.034652 -1.020367
C -5.211480 1.243262 -1.398787
H -1.866875 -0.842824 1.888460
H -1.715343 0.211482 4.166721
H -0.239525 1.083455 3.674756
H -0.230299 -0.719198 3.759653
H 2.277833 0.559863 2.190148
H -0.608720 1.721667 -0.836744
H 0.993147 -3.388012 1.593811
H 2.015482 -1.152150 -1.987904
H 3.278393 -4.459535 1.580531
H 4.309608 -2.217724 -1.996758
H 3.742653 2.514580 1.547406
H 0.855646 3.639541 -1.505416
H -3.497420 3.391283 0.682807
H -3.105196 -0.921182 0.231414
H 3.026143 4.049343 -0.309975
H 6.007947 -3.580373 -0.928485
H 5.788126 -4.061651 0.777962
H 5.236944 -5.137054 -0.527240
H -5.307535 3.400333 -1.078439
H -4.877341 -0.908257 -1.493841
H -5.995791 1.238571 -2.164334


