%chk=000194839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194839

0 1
S 0.514843 2.649156 -1.846213
O -0.111162 -0.509622 -0.408577
O -3.653266 -0.096435 -1.325911
O 1.585064 0.127367 1.025386
O -0.505222 1.381919 -2.230585
O -3.224196 -2.126825 -0.244853
O 0.859969 -3.365359 0.548629
O 3.623653 -2.785271 -0.828855
O 3.951224 -0.991673 2.091514
O -2.485522 -1.781090 -3.661475
O 4.693616 1.647987 0.187822
O 0.406718 3.420608 -3.310801
O -1.255649 -0.579286 3.284630
O 3.008060 2.408506 1.459466
O 1.849017 2.145676 -1.771905
O -0.133184 3.438088 -0.856283
N -2.667899 0.541757 1.902099
C -1.110455 0.459948 -0.028312
C -2.234465 -0.275205 0.753847
C -1.600211 1.095877 -1.345165
C -2.507622 0.144364 -2.160619
C -3.465590 -0.730181 -0.067608
C 0.751416 -0.961744 0.657022
C 1.450004 -2.177125 0.007745
C 2.949913 -2.323206 0.349143
C 3.679012 -1.001889 0.696596
C 2.831964 0.222853 0.294969
C -1.769230 -1.122824 -2.614671
C -2.071463 0.317958 3.160658
C 3.443097 1.537504 0.754233
C -4.204319 -2.820269 -1.053089
C -2.524948 1.230877 4.255242
H -0.616981 1.227569 0.621922
H -1.769255 -1.236222 1.166851
H -2.150075 2.043675 -1.115509
H -2.978261 0.669865 -3.025171
H -4.452378 -0.556495 0.416387
H 0.181897 -1.172450 1.598423
H 1.305805 -2.154416 -1.102487
H 3.078267 -3.061876 1.180042
H 4.695141 -0.978132 0.222480
H 2.630882 0.273983 -0.808808
H -3.272792 1.333967 1.719551
H -1.725035 -1.887042 -1.807727
H -0.740062 -0.877993 -2.942729
H -0.064505 -3.471103 0.224203
H 3.465700 -3.747407 -0.953807
H 3.124702 -0.802560 2.606781
H -2.450085 -1.259084 -4.487667
H -3.833473 -3.851164 -1.041088
H -4.193040 -2.410129 -2.074247
H -5.193505 -2.745771 -0.597460
H -2.122234 0.885143 5.224272
H -3.616967 1.274976 4.359074
H -2.155776 2.258040 4.113432
H 5.152681 2.493705 0.440774
H 1.144783 3.257882 -3.933274


%chk=000194839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194839

0 1
S -0.462190 3.800135 -1.202505
O 0.075843 -0.339245 -0.310703
O -3.423109 -0.437068 -1.129181
O 2.223213 -0.007072 0.760661
O -0.695094 2.020989 -1.760644
O -2.127784 -2.373817 -0.390955
O 0.278050 -3.189760 0.701850
O 2.944199 -4.123572 0.367467
O 4.759290 -1.617625 1.558238
O -2.331343 -1.296632 -3.793047
O 5.182752 0.391850 -1.272508
O -1.379762 4.639840 -2.550412
O -1.521149 0.495598 3.555227
O 4.620622 1.410977 0.746401
O 1.090074 4.169978 -1.335010
O -1.340534 4.047069 0.118222
N -2.962964 0.517698 1.745275
C -0.983917 0.513265 0.223608
C -2.068759 -0.348173 0.963954
C -1.651920 1.265099 -0.937432
C -2.433464 0.341110 -1.919692
C -2.909384 -1.214908 0.003950
C 1.029012 -0.839889 0.689737
C 1.326696 -2.284117 0.252297
C 2.654194 -2.775597 0.849316
C 3.839988 -1.854411 0.445548
C 3.299380 -0.502448 -0.124192
C -1.538152 -0.512869 -2.839418
C -2.600878 0.907814 3.033215
C 4.398169 0.552509 -0.123904
C -2.880816 -3.342685 -1.227389
C -3.561584 1.850278 3.740974
H -0.566666 1.235915 0.952896
H -1.550263 -1.003610 1.685754
H -2.388307 1.961568 -0.487330
H -3.081619 0.981915 -2.546833
H -3.841980 -1.550954 0.501192
H 0.590087 -0.788335 1.703445
H 1.400820 -2.299598 -0.856961
H 2.558568 -2.767174 1.956954
H 4.443341 -2.368175 -0.319289
H 2.932515 -0.633716 -1.159053
H -3.818195 0.872031 1.311738
H -0.956269 -1.244836 -2.268352
H -0.836123 0.175228 -3.354977
H -0.599905 -2.917743 0.285937
H 2.130146 -4.667341 0.538244
H 4.327335 -1.002407 2.207913
H -2.833657 -0.688643 -4.393019
H -2.211128 -4.207444 -1.347133
H -3.109322 -2.890706 -2.207136
H -3.808600 -3.649487 -0.706983
H -3.760000 1.466367 4.755269
H -4.519983 1.982135 3.210070
H -3.081328 2.838391 3.853217
H 5.955900 1.017537 -1.236143
H -0.705446 4.914161 -3.240070


