%chk=000187367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187367

0 1
S -3.008760 1.189609 1.527290
O 1.588156 -0.410908 -0.183946
O -0.352210 1.544274 0.925886
O 4.781844 0.075258 -1.755721
O 0.608073 0.372358 2.670805
N -3.607308 0.573135 0.104814
N -1.712284 0.404739 2.323591
C 2.837811 -1.045474 -0.740879
C 3.734816 0.169055 -1.173619
C 3.011781 1.363597 -0.706336
C 1.792582 0.939292 -0.125463
C 3.462336 -1.803997 0.408186
C 2.383226 -1.884210 -1.910483
C -4.349724 -0.705320 0.129955
C -3.040913 1.012941 -1.188785
C -3.448092 -1.949229 0.213745
C -1.758992 0.289154 -1.628946
C 0.910657 1.882154 0.437056
C 3.348724 2.716220 -0.743631
C -4.265413 -3.238310 0.075786
C -1.383300 0.680657 -3.064873
C 1.260927 3.235060 0.408953
C 2.463981 3.645191 -0.188224
C -3.381134 -4.478469 0.181968
C 0.109341 0.517553 -3.336607
C -0.382611 0.704976 2.062567
C -2.006830 -0.710041 3.248837
H 3.668880 -1.145510 1.266051
H 4.406146 -2.279515 0.109951
H 2.789572 -2.587691 0.783944
H 3.228729 -2.151808 -2.560365
H 1.636255 -1.345022 -2.526666
H 1.903846 -2.816195 -1.584200
H -4.988429 -0.761532 -0.782080
H -5.050043 -0.686454 0.998115
H -2.835726 2.108759 -1.117025
H -3.831827 0.892487 -1.965716
H -2.893038 -1.954590 1.178985
H -2.666221 -1.903180 -0.577586
H -1.883018 -0.811443 -1.547607
H -0.933140 0.541122 -0.928264
H -5.051939 -3.273590 0.855605
H -4.800698 -3.245653 -0.894491
H -1.668932 1.734071 -3.262389
H -1.966654 0.071884 -3.782603
H 4.289783 3.031142 -1.197304
H 0.580882 3.965275 0.853263
H 2.711127 4.705619 -0.206091
H -2.611666 -4.494953 -0.598589
H -3.971917 -5.395930 0.078081
H -2.866617 -4.528781 1.148386
H 0.701088 1.236364 -2.754700
H 0.341845 0.680256 -4.394505
H 0.469034 -0.489349 -3.066313
H -2.773823 -0.402224 3.980211
H -1.104527 -1.017631 3.810190
H -2.385459 -1.588394 2.682888


%chk=000187367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187367

0 1
S -3.144895 1.139455 1.642250
O 1.749167 -0.314546 -0.201340
O -0.309842 1.531522 0.905129
O 5.151951 0.306370 -1.379636
O 0.729024 0.281622 2.624849
N -3.529779 0.472305 0.095098
N -1.612771 0.308540 2.378824
C 3.085191 -0.890104 -0.663977
C 3.980095 0.361299 -0.917173
C 3.191758 1.530602 -0.496088
C 1.927217 1.057139 -0.060173
C 3.638014 -1.731085 0.499400
C 2.843788 -1.692454 -1.946450
C -4.335913 -0.766654 -0.005310
C -2.940437 1.061277 -1.134181
C -3.575974 -2.097150 0.215593
C -1.968678 0.155699 -1.925156
C 0.967420 1.954735 0.460469
C 3.507768 2.908745 -0.476225
C -4.518065 -3.318959 0.107702
C -1.373120 0.909603 -3.137673
C 1.279802 3.326910 0.473541
C 2.533624 3.807660 0.000505
C -3.786490 -4.656821 0.350951
C -0.509697 0.000392 -4.037886
C -0.321905 0.650872 2.046715
C -1.832697 -0.641827 3.486913
H 3.678286 -1.137305 1.428080
H 4.657518 -2.073837 0.248658
H 2.991157 -2.607207 0.674858
H 3.813057 -2.065370 -2.321163
H 2.389103 -1.063887 -2.730874
H 2.178880 -2.549971 -1.746064
H -4.795568 -0.765800 -1.014853
H -5.161928 -0.700030 0.729134
H -2.412579 1.980109 -0.826290
H -3.778454 1.359881 -1.801299
H -3.107326 -2.082057 1.218846
H -2.752066 -2.192046 -0.516028
H -2.501407 -0.746151 -2.289154
H -1.152734 -0.185130 -1.259703
H -5.345278 -3.210143 0.838900
H -4.989959 -3.333276 -0.896355
H -0.761919 1.758915 -2.771163
H -2.194220 1.350601 -3.740575
H 4.488752 3.248655 -0.822587
H 0.531244 4.019189 0.872876
H 2.738054 4.882349 0.029631
H -2.970049 -4.800740 -0.381275
H -4.475867 -5.516333 0.262776
H -3.337815 -4.685731 1.361701
H 0.313190 -0.455879 -3.457257
H -0.063339 0.565924 -4.876251
H -1.113053 -0.822169 -4.466433
H -2.586242 -0.241557 4.186423
H -0.880780 -0.789922 4.022754
H -2.183015 -1.619430 3.107117


