%chk=000215262.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215262

0 1
S 1.276215 0.685988 2.294355
O -1.420543 3.349484 1.585522
O -2.325990 -2.319323 0.415907
O -4.923087 -1.122008 0.509983
N 0.292510 2.290113 0.471968
N 2.095604 0.948549 -0.347282
C -0.081179 2.858934 -0.856088
C -0.640922 1.797468 -1.818417
C -1.748856 0.987402 -1.205060
C 1.303056 1.309230 0.592343
C -0.540440 2.523148 1.610835
C -0.149664 1.680028 2.796383
C -1.474493 -0.298979 -0.706852
C -3.043364 1.508706 -1.113806
C -2.488946 -1.051220 -0.116995
C -4.069801 0.757234 -0.535296
C -3.806880 -0.523707 -0.032703
C 3.126919 -0.027935 -0.208041
C 3.042861 -1.216631 -0.975613
C 4.254306 0.232440 0.589983
C 4.106245 -2.126704 -0.912704
C 1.862776 -1.488655 -1.847595
C 5.301253 -0.690247 0.630491
C 5.226061 -1.868716 -0.116586
C -0.986429 -2.869265 0.438142
C -4.795827 -2.477916 1.004152
H 0.826514 3.329902 -1.298933
H -0.836793 3.662047 -0.675892
H -0.999313 2.304853 -2.738681
H 0.185819 1.135319 -2.159376
H 0.097039 2.314240 3.673539
H -0.996432 1.030767 3.108981
H -0.458578 -0.697093 -0.790455
H -3.261113 2.508487 -1.485526
H -5.082259 1.154236 -0.460481
H 4.315448 1.155637 1.165003
H 4.062562 -3.045865 -1.495566
H 1.810335 -2.531403 -2.181313
H 0.908209 -1.248962 -1.342228
H 1.902585 -0.855067 -2.749169
H 6.176311 -0.487973 1.246091
H 6.042456 -2.588033 -0.082301
H -0.312315 -2.221084 1.006893
H -0.629824 -3.037285 -0.581824
H -1.146589 -3.821433 0.959487
H -5.819484 -2.696228 1.328019
H -4.090671 -2.506278 1.841457
H -4.474690 -3.145702 0.198147


%chk=000215262-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215262

0 1
S 1.435197 0.667135 2.432526
O -1.322942 3.409540 1.525621
O -2.475429 -2.191105 0.990382
O -5.083782 -1.035588 0.885793
N 0.330302 2.131284 0.441107
N 2.081063 0.754958 -0.355640
C -0.009988 2.648871 -0.904354
C -0.690432 1.580946 -1.812070
C -1.854888 0.866041 -1.143631
C 1.358718 1.186807 0.621946
C -0.420293 2.536036 1.560755
C -0.020489 1.795026 2.833774
C -1.621157 -0.346057 -0.444157
C -3.164357 1.399049 -1.156010
C -2.662937 -1.016787 0.236992
C -4.215265 0.723433 -0.498734
C -3.989006 -0.483445 0.196589
C 3.201887 -0.109965 -0.271141
C 3.357428 -1.103706 -1.288983
C 4.198045 0.041750 0.733071
C 4.499834 -1.936765 -1.244536
C 2.318457 -1.254747 -2.382268
C 5.331057 -0.797286 0.749853
C 5.482733 -1.796761 -0.237304
C -1.106192 -2.702585 1.116137
C -5.375806 -2.468899 0.677122
H 0.917284 3.006059 -1.384841
H -0.688840 3.500688 -0.726366
H -1.030331 2.113812 -2.720506
H 0.078943 0.853925 -2.122558
H 0.273031 2.515232 3.612231
H -0.873509 1.194929 3.187423
H -0.607505 -0.759617 -0.433107
H -3.368877 2.339666 -1.679807
H -5.236242 1.117788 -0.502318
H 4.094334 0.835342 1.481284
H 4.622516 -2.703682 -2.018768
H 2.628353 -2.010991 -3.123406
H 1.335552 -1.559751 -1.974554
H 2.157065 -0.293840 -2.905032
H 6.093378 -0.664742 1.525406
H 6.360453 -2.452047 -0.231173
H -0.434266 -1.947735 1.569049
H -0.701494 -3.018001 0.134431
H -1.187718 -3.576059 1.779759
H -6.285008 -2.659825 1.267599
H -4.542827 -3.098737 1.029156
H -5.575447 -2.669095 -0.393843


