%chk=000261925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261925

0 1
S -0.949058 0.817186 1.145269
O -0.074438 1.189104 0.044937
O -0.970210 1.623290 2.346819
O 4.411041 -2.633269 -0.092503
O -7.443416 0.398840 -0.245008
O -6.640735 0.193369 -2.245161
N -0.625808 -0.775896 1.673397
N 5.331638 1.303177 0.185748
N 6.005950 -1.010863 0.137915
N 7.622903 0.688050 0.577920
N -6.523293 0.342250 -1.041569
C 1.654011 -1.551633 0.863872
C 2.217501 -0.816800 -0.361962
C 0.128343 -1.716971 0.803264
C 3.628775 -0.369674 -0.125233
C 3.968428 0.944418 0.000343
C -2.569550 0.682985 0.508553
C 4.646747 -1.446753 -0.030439
C 3.028425 2.095849 -0.048681
C -3.658483 0.749662 1.380178
C -2.758978 0.517824 -0.865596
C 6.301747 0.265409 0.268680
C -4.959995 0.638700 0.878806
C -4.053386 0.405278 -1.382145
C -5.138875 0.464512 -0.498807
H 2.143146 -2.550325 0.927647
H 1.961999 -1.032221 1.791131
H 1.569617 0.054463 -0.622858
H 2.195298 -1.491694 -1.244761
H -0.148771 -2.747434 1.134466
H -0.240508 -1.628370 -0.242334
H -0.357722 -0.879709 2.664437
H 5.576111 2.271789 0.377406
H 3.245002 2.786474 -0.874509
H 3.012901 2.671269 0.887464
H 1.973369 1.755024 -0.203416
H -3.503855 0.899066 2.455973
H -1.898421 0.488887 -1.546012
H -5.828475 0.687465 1.545811
H -4.224397 0.274773 -2.456875
H 8.287629 -0.087028 0.645685
H 7.994494 1.439130 0.007845


%chk=000261925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261925

0 1
S -1.383814 0.806048 0.513426
O -0.863610 1.412350 -0.908660
O -1.084463 1.538675 1.941293
O 4.281658 -2.540205 1.238985
O -8.152255 0.299160 1.195638
O -7.979406 0.052448 -1.065761
N -0.837846 -0.999393 0.560345
N 6.009462 1.031215 0.338731
N 6.074632 -1.057776 1.512263
N 7.807155 0.487926 1.787861
N -7.468167 0.231239 0.104632
C 1.695436 -0.685381 0.298280
C 2.892991 -0.963859 -0.650363
C 0.375291 -1.235793 -0.277288
C 4.202795 -0.502577 -0.048954
C 4.791022 0.719149 -0.305870
C -3.260602 0.609463 0.384179
C 4.838401 -1.438375 0.932861
C 4.267855 1.810036 -1.210990
C -4.009999 0.698958 1.568423
C -3.821590 0.417887 -0.889189
C 6.604529 0.120670 1.212787
C -5.411687 0.573179 1.475352
C -5.222507 0.293916 -0.982129
C -5.987722 0.366815 0.203113
H 1.907479 -1.154305 1.277964
H 1.596908 0.406284 0.459017
H 2.704162 -0.494613 -1.633989
H 2.965943 -2.057140 -0.803701
H 0.426442 -2.336084 -0.399477
H 0.173969 -0.799687 -1.273145
H -0.653347 -1.172789 1.570559
H 6.436790 1.940947 0.157139
H 4.988495 2.041780 -2.019090
H 4.084226 2.742407 -0.642838
H 3.316953 1.519742 -1.678028
H -3.511754 0.886611 2.524725
H -3.184463 0.388162 -1.778038
H -6.055041 0.633054 2.356603
H -5.725162 0.143741 -1.940710
H 8.220135 -0.185701 2.428675
H 8.287408 1.361422 1.591069


