%chk=000268652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268652

0 1
S 2.271061 1.253789 -1.214640
O -0.922426 -0.057743 0.709686
O -0.741858 1.623156 -0.800189
N -4.551977 -0.231995 -0.083202
C -3.090662 -0.386147 -0.361980
C -5.343541 -1.409809 -0.568874
C -5.072233 1.057375 -0.652667
C -2.355541 0.197472 0.851991
C -5.089082 -2.620619 0.330020
C -6.368477 1.451680 0.056261
C 3.263369 -0.655783 0.249615
C 1.195193 0.360703 -0.157423
C 3.651206 0.311693 -0.708976
C 1.843593 -0.603660 0.547393
C -0.212988 0.744200 -0.157882
C 4.235293 -1.521095 0.787390
C 4.973814 0.435839 -1.140766
C 5.551406 -1.400130 0.359963
C 5.918852 -0.428741 -0.597395
H -2.752077 0.121709 -1.292110
H -2.814121 -1.456383 -0.479409
H -6.423355 -1.140242 -0.518670
H -5.129265 -1.665458 -1.628887
H -4.308589 1.850511 -0.483337
H -5.233992 1.008154 -1.751066
H -2.582050 -0.340241 1.790162
H -2.520040 1.280958 0.973332
H -4.062763 -2.993674 0.238645
H -5.241511 -2.361001 1.386572
H -5.768719 -3.442452 0.083663
H -7.193119 0.771685 -0.184826
H -6.241608 1.425070 1.147235
H -6.674714 2.465124 -0.222546
H 1.372178 -1.272876 1.260356
H 3.950491 -2.268815 1.525314
H 5.255261 1.185261 -1.878392
H 6.318222 -2.060186 0.764205
H 6.960766 -0.360827 -0.910664


%chk=000268652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268652

0 1
S 2.303662 1.541917 -1.030104
O -0.897927 -0.194096 0.766616
O -0.755148 1.750269 -0.538575
N -4.571268 -0.327922 -0.150387
C -3.123620 -0.608483 -0.288468
C -5.447860 -1.463731 -0.536806
C -4.968116 0.971153 -0.763167
C -2.370666 0.021972 0.898912
C -5.446366 -2.601784 0.501612
C -6.196429 1.605170 -0.083576
C 3.318500 -0.642877 0.184878
C 1.222932 0.426649 -0.082438
C 3.710755 0.476374 -0.625029
C 1.903714 -0.642961 0.474362
C -0.208169 0.751717 -0.002078
C 4.310585 -1.579061 0.592396
C 5.048915 0.670252 -1.025545
C 5.644977 -1.389294 0.195861
C 6.012139 -0.271999 -0.608263
H -2.704333 -0.214668 -1.242354
H -2.951728 -1.699181 -0.281296
H -6.477715 -1.073253 -0.627479
H -5.173600 -1.868790 -1.543683
H -4.110973 1.663751 -0.670369
H -5.158208 0.856820 -1.859897
H -2.641013 -0.472308 1.843805
H -2.569391 1.105841 0.960951
H -4.439641 -3.039980 0.631435
H -5.780629 -2.220582 1.482246
H -6.125720 -3.415437 0.185488
H -7.091013 0.960764 -0.162451
H -5.993302 1.773924 0.988304
H -6.439838 2.574934 -0.556412
H 1.396030 -1.401345 1.073674
H 4.026379 -2.437441 1.210985
H 5.338704 1.526204 -1.643254
H 6.413801 -2.104927 0.505827
H 7.057579 -0.141089 -0.907818


