%chk=000272857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272857

0 1
S -0.355450 2.224203 1.395768
O -0.493734 -2.609485 -0.199039
O -4.915471 1.627195 -0.232863
O -3.214454 0.305526 -0.921681
O -1.054881 -2.294313 1.979874
O 0.216896 0.909213 -1.987029
O 1.992542 -0.771044 1.953150
N -2.415260 0.623353 1.882175
N 0.780319 -0.078669 0.067509
C -1.972742 2.855153 0.740388
C -3.005339 1.745464 1.109887
C -0.961304 0.515319 1.725782
C -0.589484 -0.369006 0.514291
C -2.264338 4.144581 1.488347
C -1.811035 3.079362 -0.747055
C -3.641073 1.106750 -0.129965
C -0.740278 -1.853293 0.900024
C 1.054793 0.580444 -1.190969
C 1.974268 -0.291559 0.851159
C 2.549602 0.727069 -1.224486
C 3.093289 0.211213 -0.015811
C -0.594515 -4.101034 -0.164462
C 3.361326 1.257002 -2.204126
C 4.451160 0.223690 0.220160
C -2.029510 -4.468805 0.183094
C -0.229256 -4.426788 -1.610286
C 0.421015 -4.623598 0.840549
C -5.737438 1.142833 -1.328206
C 4.756260 1.270995 -1.965534
C 5.287537 0.767511 -0.783615
H -3.844644 2.204037 1.709015
H -0.471540 0.118248 2.656026
H -1.302520 -0.178980 -0.361389
H -2.687278 0.668760 2.870776
H -1.486470 4.902456 1.313761
H -3.213509 4.592352 1.162858
H -2.319215 4.002509 2.576002
H -2.742179 3.420524 -1.218047
H -1.049187 3.839225 -0.969692
H -1.484483 2.168030 -1.286972
H 2.948002 1.653201 -3.132275
H 4.870937 -0.169429 1.146965
H -2.745101 -3.960976 -0.475333
H -2.202266 -5.545980 0.102177
H -2.278567 -4.168684 1.213883
H 0.787177 -4.091708 -1.850951
H -0.901149 -3.913358 -2.311702
H -0.290506 -5.501716 -1.803942
H 0.161271 -4.313982 1.866570
H 0.473659 -5.716390 0.830236
H 1.426324 -4.234982 0.641029
H -6.029335 0.108809 -1.119574
H -6.594832 1.822883 -1.306989
H -5.184315 1.206105 -2.271219
H 5.417398 1.686502 -2.727515
H 6.365684 0.788163 -0.617430


%chk=000272857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272857

0 1
S -0.379608 2.384232 1.425313
O -0.287341 -2.626653 -0.135055
O -4.949064 1.952129 -0.351469
O -3.374716 0.326398 -0.882356
O -1.375233 -2.205947 1.902274
O 0.130929 0.996946 -2.072359
O 1.975434 -1.068405 1.735360
N -2.418199 0.665785 1.888191
N 0.736420 -0.086173 -0.037682
C -2.140948 2.986989 0.905556
C -3.110921 1.735985 1.177887
C -0.993718 0.569425 1.685744
C -0.612653 -0.330740 0.470767
C -2.535213 4.153838 1.839550
C -2.095365 3.445359 -0.569045
C -3.771129 1.234876 -0.121440
C -0.802832 -1.818013 0.859598
C 1.001927 0.567567 -1.278979
C 1.930883 -0.467838 0.630853
C 2.494741 0.609237 -1.395122
C 3.051728 -0.011235 -0.250516
C -0.333426 -4.155355 -0.019851
C 3.307134 1.140767 -2.407139
C 4.439564 -0.119686 -0.078642
C -1.806890 -4.606628 -0.013121
C 0.389884 -4.588676 -1.305673
C 0.436523 -4.591769 1.241983
C -5.681983 1.598929 -1.593381
C 4.713278 1.036529 -2.243419
C 5.271029 0.416141 -1.096644
H -3.943094 2.098975 1.806915
H -0.500011 0.184163 2.591725
H -1.315195 -0.114925 -0.359616
H -2.749635 0.451800 2.827686
H -1.800644 4.975850 1.776433
H -3.525183 4.555557 1.547850
H -2.579316 3.821168 2.891537
H -3.099047 3.775424 -0.899728
H -1.406074 4.301540 -0.672369
H -1.733825 2.643841 -1.235555
H 2.865152 1.617748 -3.287421
H 4.858421 -0.598680 0.811886
H -2.335403 -4.212771 -0.899056
H -1.851121 -5.710891 -0.045040
H -2.323139 -4.258791 0.895243
H 1.426960 -4.211094 -1.313675
H -0.131501 -4.195986 -2.195354
H 0.416003 -5.691390 -1.368529
H -0.098628 -4.299709 2.158471
H 0.554165 -5.691138 1.232296
H 1.440690 -4.133153 1.259859
H -5.998873 0.543347 -1.557609
H -6.548528 2.274316 -1.610779
H -5.035564 1.752449 -2.473763
H 5.380043 1.441302 -3.012395
H 6.359915 0.351937 -0.996896


