%chk=000272756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272756

0 1
S -2.824217 -1.420502 0.446810
O 0.296085 2.308931 -0.275999
O 2.973651 -0.896135 -0.351182
O 4.531137 0.634027 -0.947783
N -2.058992 0.956699 -0.334662
N 1.412540 0.750321 0.958535
C -1.016481 -1.019570 0.605458
C -1.054646 0.531826 0.683844
C -3.355634 0.262495 -0.152766
C -0.540679 -1.668605 1.892156
C -0.304466 -1.546774 -0.622667
C -4.043448 0.110051 -1.497047
C -4.265336 0.861527 0.910543
C 0.252157 1.263869 0.345237
C 2.722465 1.288020 0.561370
C 3.526201 0.367771 -0.338674
C 3.626381 -1.887437 -1.191910
H -1.329489 0.845310 1.730915
H -2.132388 1.978365 -0.400693
H 0.525004 -1.474636 2.081750
H -1.101426 -1.326855 2.773142
H -0.656326 -2.762575 1.857074
H 0.787690 -1.429952 -0.564828
H -0.505377 -2.612920 -0.788922
H -0.634018 -1.016886 -1.532542
H -4.382506 1.076641 -1.891578
H -3.362435 -0.315692 -2.251114
H -4.917769 -0.549476 -1.437103
H -3.776228 0.944589 1.888679
H -4.610141 1.864307 0.628474
H -5.165160 0.249825 1.064833
H 1.428586 -0.212487 1.313086
H 2.587969 2.275415 0.031590
H 3.327272 1.507293 1.476615
H 3.252697 -2.834259 -0.789423
H 4.716094 -1.806411 -1.106368
H 3.305133 -1.723908 -2.225547


%chk=000272756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272756

0 1
S -3.332101 -1.434587 0.007263
O 0.019154 1.463056 -1.660742
O 3.575005 -0.475701 1.009972
O 5.028892 0.531688 -0.510181
N -2.190593 1.081328 -0.049894
N 1.377849 0.394934 -0.116739
C -1.467918 -1.295185 -0.438626
C -1.070750 0.153878 0.114760
C -3.451476 0.534722 0.408163
C -0.682943 -2.404193 0.291292
C -1.317776 -1.412740 -1.971253
C -4.637745 1.136728 -0.357359
C -3.623899 0.648012 1.934843
C 0.145134 0.737020 -0.624530
C 2.607638 0.849441 -0.767992
C 3.868091 0.307242 -0.111825
C 4.744979 -1.045886 1.725870
H -0.834922 0.030325 1.190444
H -2.196025 1.485988 -0.997675
H 0.399014 -2.330664 0.061212
H -0.825525 -2.341208 1.384990
H -1.021197 -3.403536 -0.033809
H -0.251127 -1.420203 -2.270462
H -1.781625 -2.350648 -2.322298
H -1.811427 -0.573685 -2.490544
H -4.700158 2.224351 -0.159829
H -4.532879 0.972990 -1.444059
H -5.584406 0.673462 -0.033358
H -2.747968 0.243688 2.469184
H -3.748281 1.710968 2.217042
H -4.510249 0.080280 2.267012
H 1.472518 -0.162340 0.734968
H 2.616890 0.556341 -1.835269
H 2.670879 1.955684 -0.768479
H 4.315897 -1.598939 2.572428
H 5.406805 -0.234823 2.070915
H 5.306145 -1.715585 1.053868


