%chk=000242272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242272

0 1
S -0.860567 -3.432702 0.148942
O 3.381927 -3.749632 0.199349
O 0.980126 -0.453843 2.667407
O 1.322496 -0.510453 -1.950989
O 3.938745 -1.557003 0.138983
O -2.563498 3.717176 -0.898684
O -3.009351 3.276766 1.169240
N 1.227090 -0.825383 0.371998
N -2.724142 2.938956 0.030683
C 1.571136 -2.253704 0.466302
C 0.792085 -3.120147 -0.520059
C 0.841704 1.383414 1.025570
C 0.979763 1.364360 -0.391611
C 1.007336 -0.007589 1.553005
C 1.210561 -0.046946 -0.845768
C 3.090725 -2.404617 0.236695
C 0.608952 2.559516 1.705568
C 0.896552 2.523513 -1.132081
C -2.005866 -2.670365 -1.031533
C 0.514038 3.750460 0.945904
C 0.656967 3.733353 -0.436225
C -2.173611 -1.217680 -0.743416
C -1.968698 -0.274362 -1.766825
C -2.566880 -0.783859 0.536544
C -2.160567 1.083242 -1.522571
C -2.749959 0.571381 0.794585
C -2.546153 1.501974 -0.238921
C 4.780670 -4.110779 0.032178
H 1.372809 -2.586921 1.535443
H 0.762785 -2.665148 -1.533447
H 1.294868 -4.108523 -0.644551
H 0.499467 2.579904 2.791268
H 1.011054 2.517411 -2.216775
H -1.688266 -2.868775 -2.074811
H -2.973950 -3.210628 -0.909224
H 0.319933 4.693004 1.463545
H 0.574526 4.662739 -1.005047
H -1.651399 -0.601197 -2.758699
H -2.718854 -1.511052 1.338136
H -2.011468 1.824542 -2.315182
H -3.049551 0.920338 1.789302
H 5.146304 -3.722715 -0.923789
H 5.365266 -3.706761 0.864916
H 4.745892 -5.205263 0.047444


%chk=000242272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242272

0 1
S -0.941796 -3.511512 0.354365
O 3.522375 -3.803271 0.049858
O 0.999244 -0.562280 2.765048
O 1.565092 -0.565236 -1.909381
O 4.005999 -1.527394 0.147101
O -2.778743 3.842179 -1.252390
O -3.155982 3.526319 0.973381
N 1.305803 -0.908521 0.432241
N -2.887017 3.083455 -0.210816
C 1.670762 -2.319937 0.505330
C 0.789943 -3.244795 -0.369169
C 0.870613 1.281512 1.091609
C 1.062208 1.281371 -0.312034
C 1.048401 -0.113958 1.594711
C 1.348474 -0.117994 -0.754637
C 3.183817 -2.462917 0.198410
C 0.557837 2.457688 1.788568
C 0.955898 2.460971 -1.063174
C -2.061273 -2.624272 -0.900723
C 0.437102 3.654463 1.035723
C 0.635913 3.656525 -0.368672
C -2.232810 -1.132645 -0.699532
C -2.151229 -0.255012 -1.813031
C -2.538097 -0.593491 0.579967
C -2.373370 1.128139 -1.665067
C -2.764570 0.783864 0.748026
C -2.674070 1.629806 -0.381092
C 4.965626 -4.079948 -0.175766
H 1.544946 -2.605897 1.570576
H 0.693542 -2.842793 -1.389516
H 1.254324 -4.240362 -0.414091
H 0.407155 2.444840 2.872296
H 1.109230 2.451524 -2.146704
H -1.690944 -2.859752 -1.912092
H -3.026582 -3.146307 -0.767841
H 0.179338 4.589648 1.542709
H 0.530839 4.593992 -0.923786
H -1.907005 -0.655810 -2.802878
H -2.572110 -1.261460 1.447301
H -2.310918 1.815904 -2.512303
H -2.998180 1.214807 1.725066
H 5.305953 -3.574756 -1.094439
H 5.556642 -3.718363 0.681803
H 5.028614 -5.172322 -0.272156


