%chk=000277961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277961

0 1
S -2.672390 -2.095682 -0.498397
O -3.675761 -2.629235 -1.401802
O -2.204419 -2.914759 0.590655
N -0.284439 -1.182994 -1.006567
N -1.342638 -1.809144 -1.595440
C 4.124459 0.958229 0.271517
C 3.350988 1.622332 -0.697624
C 3.815716 -0.370843 0.643545
C 2.259260 0.958797 -1.301237
C 2.734887 -1.036507 0.039004
C 1.968040 -0.364961 -0.936886
C 5.286436 1.637925 0.931024
C 3.658187 3.029653 -1.111922
C 4.653186 -1.049648 1.684545
C 1.429414 1.668483 -2.326150
C 2.368104 -2.441695 0.400359
C 0.863527 -1.089221 -1.613229
C -3.137140 -0.543039 0.056059
C -4.329430 0.030099 -0.406941
C -2.340607 0.153422 0.973229
C -3.933308 1.984556 0.974065
C -4.729027 1.284679 0.047833
C -2.735360 1.411010 1.431683
C -4.351777 3.333978 1.453179
H 6.219786 1.084585 0.757736
H 5.446337 2.662431 0.559893
H 5.137995 1.708932 2.017433
H 4.543042 3.438281 -0.598957
H 3.856502 3.090901 -2.190617
H 2.818198 3.700855 -0.886577
H 4.325396 -2.083105 1.881036
H 5.706527 -1.100793 1.377563
H 4.607509 -0.512881 2.641918
H 1.100224 2.652019 -1.961562
H 2.001758 1.831783 -3.249763
H 0.517287 1.122043 -2.598238
H 3.053881 -2.887796 1.136411
H 1.356670 -2.483312 0.837601
H 2.365913 -3.096990 -0.480643
H 1.124975 -1.497921 -2.597989
H -1.251705 -2.313770 -2.487842
H -4.953018 -0.513213 -1.128125
H -1.400555 -0.284371 1.331918
H -5.656956 1.722743 -0.314010
H -2.109237 1.946524 2.143043
H -3.938650 4.121677 0.803367
H -5.443408 3.460717 1.456766
H -4.002281 3.545030 2.473738


%chk=000277961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277961

0 1
S -2.570385 -1.811810 -1.076992
O -3.574627 -2.306706 -2.260334
O -1.713659 -2.860200 -0.169622
N -0.267789 -0.294068 -1.272779
N -1.380298 -0.572758 -2.031463
C 4.631933 0.908850 0.051142
C 4.412037 1.232204 -1.324042
C 3.613601 0.254227 0.807226
C 3.147576 0.966661 -1.917770
C 2.378276 -0.108194 0.197148
C 2.136792 0.271113 -1.167040
C 5.948863 1.273414 0.726196
C 5.538016 1.855362 -2.144878
C 3.852101 -0.090662 2.273058
C 2.852035 1.459467 -3.334137
C 1.357909 -0.904118 0.993462
C 0.894592 -0.079800 -1.872322
C -3.474695 -0.640722 0.072546
C -4.593649 0.043996 -0.427079
C -3.014228 -0.520554 1.392313
C -4.854416 1.071534 1.801411
C -5.282165 0.902329 0.456889
C -3.721592 0.345358 2.254795
C -5.586422 2.023543 2.729267
H 6.467236 0.378117 1.119225
H 6.642207 1.786844 0.045394
H 5.781102 1.949319 1.586299
H 6.489867 1.319818 -1.980442
H 5.337111 1.812799 -3.225577
H 5.711538 2.917105 -1.879438
H 2.978874 0.172206 2.895879
H 4.030761 -1.175598 2.410787
H 4.724251 0.435559 2.688503
H 3.405870 2.385299 -3.557853
H 3.133911 0.715868 -4.107084
H 1.784822 1.697320 -3.471662
H 1.830485 -1.445113 1.828269
H 0.573579 -0.243403 1.411344
H 0.820860 -1.634158 0.367061
H 0.952512 -0.140891 -2.975231
H -1.240996 -1.033469 -2.965914
H -4.923495 -0.106447 -1.459813
H -2.150169 -1.099835 1.732460
H -6.163849 1.445704 0.098246
H -3.388869 0.457014 3.292995
H -5.180177 3.049513 2.637449
H -6.662973 2.075286 2.490834
H -5.482170 1.722482 3.785871


