%chk=000289832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289832

0 1
S -3.367940 -0.254042 -0.942879
S 3.368107 -0.254921 0.945742
O -3.657459 -0.233819 -2.364780
O -3.675177 0.869954 -0.085336
O 3.656055 -0.237139 2.368029
O 3.676923 0.870331 0.090466
O 2.465510 3.859894 -1.505302
O -2.463260 3.862869 1.503229
O 1.597056 3.377655 0.413278
O -1.598256 3.375643 -0.415630
N 1.709808 3.226466 -0.788950
N -1.709391 3.227034 0.787085
C 0.011110 1.335034 -0.742911
C -0.010910 1.335416 0.742312
C -0.795498 0.423438 -1.459579
C 0.795512 0.424123 1.459531
C -1.624139 -0.606788 -0.763733
C 1.624298 -0.606421 0.764298
C 0.837144 2.221602 -1.464373
C -0.837002 2.222409 1.463219
C -0.807929 0.460337 -2.865693
C 0.807497 0.461500 2.865654
C -4.092505 -1.677570 -0.258432
C 4.092616 -1.677723 0.259767
C 0.840699 2.227109 -2.866332
C -0.840943 2.228456 2.865153
C 0.006423 1.351598 -3.562914
C -0.006973 1.353074 3.562299
C -4.417613 -1.706873 1.100593
C 4.419477 -1.704852 -1.098885
C -4.391449 -2.771530 -1.075508
C 4.389772 -2.773314 1.075310
C -5.009970 -2.846753 1.652882
C 5.011803 -2.844154 -1.652401
C -4.983603 -3.912595 -0.526511
C 4.981888 -3.913804 0.525081
C -5.289969 -3.949647 0.838709
C 5.290011 -3.948660 -0.839803
H -1.381719 -1.611025 -1.169035
H -1.359684 -0.683840 0.312144
H 1.380718 -1.610605 1.169047
H 1.361090 -0.682997 -0.311912
H -1.491791 -0.196099 -3.418139
H 1.491089 -0.194883 3.418559
H 1.491015 2.929173 -3.403456
H -1.491317 2.930814 3.401834
H -0.018070 1.375502 -4.653532
H 0.017123 1.377318 4.652920
H -4.224989 -0.832072 1.732498
H 4.228250 -0.828813 -1.729506
H -4.178472 -2.731260 -2.149361
H 4.175424 -2.734789 2.148952
H -5.264013 -2.870248 2.711952
H 5.267211 -2.865954 -2.711179
H -5.217424 -4.765602 -1.162093
H 5.214316 -4.768081 1.159466
H -5.756030 -4.838104 1.267537
H 5.756046 -4.836671 -1.269582


%chk=000289832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289832

0 1
S -3.557933 -0.102781 -0.839447
S 3.556680 -0.101846 0.838187
O -3.935112 0.044759 -2.425299
O -3.727290 1.119874 0.232678
O 3.936351 0.046959 2.423333
O 3.723432 1.120269 -0.234964
O 2.507962 3.785317 -1.614327
O -2.502787 3.790750 1.616232
O 1.527654 3.339578 0.385272
O -1.524655 3.341989 -0.383741
N 1.693915 3.120891 -0.872100
N -1.690430 3.124406 0.873886
C 0.021672 1.219293 -0.752220
C -0.021522 1.219746 0.754237
C -0.748615 0.243705 -1.466975
C 0.748370 0.244132 1.469289
C -1.635765 -0.722335 -0.766598
C 1.634808 -0.722550 0.768931
C 0.875555 2.055859 -1.518983
C -0.873756 2.058138 1.520872
C -0.694321 0.190766 -2.887227
C 0.695014 0.192396 2.889618
C -4.523573 -1.588007 -0.156186
C 4.522111 -1.586918 0.154302
C 0.947014 1.984498 -2.924368
C -0.944415 1.987905 2.926354
C 0.147087 1.053116 -3.613560
C -0.145137 1.056121 3.615773
C -4.784224 -1.618876 1.223415
C 4.780548 -1.618488 -1.225699
C -4.982319 -2.553989 -1.066486
C 4.982927 -2.552048 1.064462
C -5.532613 -2.710897 1.722337
C 5.528803 -2.710359 -1.725149
C -5.729613 -3.637512 -0.547399
C 5.730050 -3.635434 0.544842
C -5.996108 -3.716457 0.840548
C 5.994345 -3.715083 -0.843485
H -1.731919 -1.692478 -1.276161
H -1.480139 -0.833822 0.314629
H 1.731993 -1.692097 1.279435
H 1.477737 -0.835253 -0.311962
H -1.331457 -0.528366 -3.412089
H 1.331941 -0.526798 3.414650
H 1.620619 2.669327 -3.445320
H -1.616742 2.674058 3.447214
H 0.177169 1.006750 -4.706060
H -0.174497 1.010731 4.708334
H -4.445055 -0.802528 1.870128
H 4.439825 -0.802754 -1.872369
H -4.793302 -2.440331 -2.139318
H 4.795586 -2.437833 2.137528
H -5.761454 -2.768350 2.791524
H 5.755951 -2.768337 -2.794669
H -6.110245 -4.408444 -1.225420
H 6.112258 -4.405705 1.222727
H -6.580168 -4.555524 1.233726
H 6.578286 -4.554035 -1.237084


