%chk=000287287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287287

0 1
S 3.498749 0.839219 1.304783
O -1.611086 6.432014 0.046649
O 2.354072 0.734277 2.196222
O 4.789355 1.227731 1.839424
O -4.877183 -3.518873 -0.608918
N -0.526260 2.934016 0.046503
N 3.162059 2.039285 0.116099
C 0.827709 2.833999 0.678409
C -1.327967 1.688314 0.277817
C -1.256950 4.158204 0.496037
C -2.376550 1.554712 -0.844124
C 1.771006 2.190469 -0.365919
C -3.072478 0.226393 -0.757554
C -0.899637 5.290610 -0.480364
C 3.621902 -0.615394 0.393164
C -4.175198 0.056790 0.088539
C -2.613262 -0.863442 -1.522451
C 4.747227 -0.855715 -0.402780
C 2.597804 -1.568166 0.457826
C -4.827309 -1.177492 0.183852
C -3.242786 -2.099846 -1.447434
C -4.351521 -2.243236 -0.587210
C 3.816612 -2.991172 -1.083337
C 4.846652 -2.036095 -1.139818
C 2.690139 -2.749451 -0.276189
C 3.925696 -4.260710 -1.858592
C -6.023418 -3.790242 0.231755
H 1.202979 3.841332 0.953455
H 0.831452 2.239161 1.624575
H -1.821438 1.663841 1.272578
H -0.648365 0.807584 0.250954
H -1.024800 4.471837 1.536770
H -2.357407 3.997620 0.473044
H 1.782477 2.810848 -1.292187
H 1.380725 1.195690 -0.677799
H -1.880808 1.682522 -1.829267
H -3.108301 2.385765 -0.788402
H 3.645032 2.940285 0.217325
H 0.179563 5.518482 -0.488723
H -1.246337 5.077504 -1.505390
H -4.535972 0.894704 0.684929
H -1.754962 -0.736025 -2.181997
H 5.557877 -0.120573 -0.445856
H 1.722461 -1.388183 1.094569
H -5.679713 -1.288481 0.844526
H -2.905634 -2.951671 -2.032333
H -1.551561 7.180219 -0.573317
H 5.725404 -2.217665 -1.755688
H 1.891104 -3.486669 -0.220016
H 4.423211 -5.039707 -1.258591
H 2.945323 -4.661640 -2.152218
H 4.512603 -4.143726 -2.780342
H -6.216703 -4.848544 0.013225
H -6.871124 -3.167606 -0.067994
H -5.764867 -3.648803 1.284983


%chk=000287287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287287

0 1
S 2.332290 -0.099152 0.515801
O -1.531693 6.836485 -0.072819
O 0.810349 -0.608401 0.202331
O 2.859183 0.160242 2.040083
O -5.343752 -3.320242 0.649723
N -0.774749 3.189791 0.248233
N 2.564016 1.483314 -0.513919
C 0.664255 2.949962 0.441422
C -1.643935 2.038020 0.586354
C -1.278084 4.532747 0.591017
C -2.562423 1.591145 -0.586067
C 1.257827 2.157711 -0.757774
C -3.330804 0.316103 -0.266629
C -1.050709 5.530093 -0.556094
C 3.525317 -1.297625 -0.303060
C -4.742057 0.302067 -0.185115
C -2.635911 -0.905003 -0.027591
C 4.776459 -1.491432 0.304123
C 3.113437 -1.971552 -1.462061
C -5.460688 -0.879973 0.117158
C -3.331731 -2.088955 0.272672
C -4.747948 -2.081092 0.345403
C 5.303190 -3.111227 -1.481400
C 5.663145 -2.407697 -0.300231
C 4.020475 -2.884301 -2.045860
C 6.271111 -4.094438 -2.113652
C -6.802809 -3.355971 0.743984
H 1.187202 3.921046 0.542156
H 0.868748 2.377184 1.379189
H -2.272815 2.259906 1.476274
H -0.999404 1.182663 0.861887
H -0.812617 4.945914 1.515199
H -2.364475 4.469947 0.781608
H 1.406136 2.817340 -1.634190
H 0.542638 1.373623 -1.062928
H -1.914174 1.444180 -1.472257
H -3.263622 2.410165 -0.837900
H 3.207555 2.050957 0.075684
H 0.030283 5.577321 -0.813264
H -1.610288 5.191825 -1.452596
H -5.298469 1.231144 -0.362587
H -1.538963 -0.928203 -0.071514
H 5.030955 -0.963059 1.228663
H 2.116420 -1.806391 -1.881852
H -6.553422 -0.849315 0.168509
H -2.802465 -3.029074 0.457041
H -1.446318 7.508749 -0.793847
H 6.645594 -2.581678 0.153905
H 3.724431 -3.427258 -2.950312
H 6.524715 -4.910680 -1.411889
H 5.850401 -4.551929 -3.024684
H 7.219887 -3.598499 -2.390731
H -7.051064 -4.399582 0.988331
H -7.277863 -3.075243 -0.216981
H -7.173171 -2.687373 1.546253


