%chk=000266885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266885

0 1
S -3.781674 -0.318767 0.711416
O -4.566682 -1.007213 -0.288328
O -4.086514 -0.453219 2.116390
O 5.013623 0.743298 -0.766771
O 6.401861 -1.343048 0.614035
O 0.196641 -1.072967 1.848148
N -2.136468 -0.863598 0.607391
C -0.021296 -1.459923 -0.476851
C -1.433430 -1.263894 -0.532958
C 2.239842 -1.274059 0.693217
C 0.744842 -1.259140 0.767882
C 2.980464 -2.259905 1.364325
C -3.659671 1.344307 0.293115
C 2.886579 -0.250465 -0.021324
C 0.647773 -1.877091 -1.649074
C -2.114082 -1.465584 -1.765335
C 4.383079 -2.229151 1.292212
C 4.274990 -0.208632 -0.075922
C 5.038162 -1.215479 0.585029
C -3.868020 1.758797 -1.027574
C -3.365319 2.292850 1.280883
C 2.297757 -3.337894 2.135928
C -0.025167 -2.064681 -2.844834
C -1.417270 -1.856714 -2.893452
C -3.470536 4.061908 -0.376478
C -3.773136 3.108416 -1.364734
C -3.268948 3.643767 0.951354
C -3.381703 5.508998 -0.725452
C 4.308394 1.931678 -1.199020
C 7.204371 -0.330552 -0.047044
H -1.589725 -0.927783 1.514690
H 2.285396 0.504497 -0.526358
H 1.726061 -2.060958 -1.607879
H -3.205095 -1.373446 -1.817681
H 4.983789 -2.987815 1.793966
H -4.115178 1.022697 -1.801388
H -3.217920 1.975531 2.320413
H 2.986351 -3.919125 2.762247
H 1.528858 -2.917980 2.809827
H 1.786079 -4.047656 1.469578
H 0.506920 -2.382695 -3.736704
H -1.950810 -2.018409 -3.832196
H -3.938437 3.422758 -2.393626
H -3.041396 4.375553 1.724720
H -2.587924 6.025443 -0.166746
H -3.185069 5.679581 -1.792898
H -4.326416 6.024580 -0.487847
H 3.838305 2.432537 -0.347859
H 3.581076 1.677580 -1.975475
H 5.125392 2.537351 -1.610908
H 8.220983 -0.694678 0.139198
H 7.030030 0.646199 0.415170
H 6.970470 -0.306507 -1.117322


%chk=000266885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266885

0 1
S -3.751101 -0.410523 0.700935
O -4.764818 -1.083128 -0.381213
O -3.945045 -0.603751 2.298599
O 5.092466 0.426739 -1.071996
O 6.492703 -1.226187 0.850479
O 0.127226 -1.483947 1.680811
N -2.039420 -0.990488 0.449302
C 0.031198 -1.511223 -0.727981
C -1.397543 -1.238903 -0.759356
C 2.265542 -1.463644 0.592369
C 0.769455 -1.494738 0.557107
C 2.997884 -2.247817 1.536745
C -3.671574 1.440787 0.324688
C 2.959434 -0.566200 -0.266457
C 0.681725 -1.850560 -1.952250
C -2.078560 -1.246197 -2.013536
C 4.402349 -2.103241 1.559607
C 4.360361 -0.423261 -0.219649
C 5.101354 -1.204845 0.721783
C -4.138175 1.895196 -0.916976
C -3.179502 2.290931 1.329119
C 2.334685 -3.220812 2.495542
C -0.002952 -1.865384 -3.176301
C -1.385878 -1.545812 -3.196747
C -3.589594 4.190041 -0.193146
C -4.087648 3.285865 -1.166683
C -3.140469 3.673757 1.053693
C -3.562292 5.684090 -0.458751
C 4.338120 1.203795 -2.058854
C 7.270433 0.024646 0.725762
H -1.476387 -1.186024 1.319624
H 2.377394 0.040107 -0.965687
H 1.738515 -2.131707 -1.917704
H -3.159993 -1.085991 -2.034724
H 5.005458 -2.694750 2.256075
H -4.548694 1.192363 -1.648827
H -2.857759 1.887200 2.294534
H 3.084148 -3.894193 2.945291
H 1.812872 -2.680511 3.304141
H 1.568281 -3.838283 1.994731
H 0.516470 -2.142112 -4.098905
H -1.936974 -1.565291 -4.143902
H -4.447119 3.670483 -2.127708
H -2.762369 4.362063 1.818471
H -2.596393 6.129380 -0.159574
H -3.728358 5.911600 -1.525174
H -4.351426 6.201432 0.119659
H 3.634284 1.904261 -1.568971
H 3.782279 0.542113 -2.751193
H 5.097127 1.771027 -2.617463
H 8.293391 -0.261072 1.014389
H 6.882086 0.791697 1.421766
H 7.243004 0.410319 -0.304397


