%chk=000215555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215555

0 1
S -1.934451 1.756740 1.789495
P -0.607480 0.321233 1.109014
O 0.719133 0.808098 1.939836
O -1.095570 -1.010936 1.935624
O -0.483738 0.177188 -0.368311
O -4.267582 2.854954 -0.466389
N -2.791775 1.447492 -1.501664
C 2.583504 0.009380 0.542017
C 0.104454 -2.953163 1.035648
C 1.891726 -0.050058 1.901793
C -1.242653 -2.247670 1.180674
C 4.003914 -0.562509 0.627356
C 0.695994 -2.838975 -0.374623
C 4.667683 -0.614720 -0.746190
C 1.973683 -3.660891 -0.517390
C -2.013444 2.867307 0.348693
C -3.140635 2.391614 -0.551540
C -3.816430 0.897961 -2.412242
H 1.994685 -0.548051 -0.227807
H 2.613126 1.056744 0.178268
H 0.821961 -2.546654 1.786720
H -0.011257 -4.022372 1.305653
H 1.614534 -1.085640 2.197573
H 2.504386 0.407604 2.706255
H -1.745728 -2.061645 0.213314
H -1.932276 -2.804883 1.849193
H 3.978821 -1.579561 1.066848
H 4.618251 0.052739 1.314976
H 0.910923 -1.770204 -0.621445
H -0.048401 -3.166611 -1.126506
H 5.687614 -1.010147 -0.679809
H 4.731639 0.380495 -1.202412
H 4.110452 -1.254778 -1.440826
H 2.376129 -3.586833 -1.534902
H 1.801161 -4.723599 -0.313082
H 2.757385 -3.315232 0.166978
H -2.272766 3.876076 0.749221
H -1.052376 2.997479 -0.183273
H -1.862893 1.003647 -1.536161
H -3.983062 -0.174042 -2.218198
H -4.783943 1.423182 -2.278515
H -3.500499 1.027841 -3.460564


%chk=000215555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215555

0 1
S -1.859739 1.409398 2.121399
P -0.094590 0.615890 0.922487
O 1.223375 0.937280 1.967134
O -0.136188 -1.111951 1.024717
O -0.050597 1.194592 -0.572944
O -4.732100 1.918195 -0.046627
N -2.830725 1.389784 -1.311490
C 3.311028 0.827691 0.543576
C -0.986394 -3.325269 0.508078
C 2.544518 0.254603 1.741055
C -1.193738 -1.833474 0.248009
C 4.712721 0.180690 0.419678
C 0.353050 -3.871617 -0.034646
C 5.508941 0.736458 -0.780799
C 0.518776 -5.383222 0.228211
C -2.535975 2.608994 0.790344
C -3.473630 1.938441 -0.220460
C -3.567739 0.710389 -2.381131
H 2.738810 0.659464 -0.389664
H 3.412116 1.922711 0.666420
H -1.059269 -3.512981 1.596634
H -1.831007 -3.866253 0.032852
H 2.369598 -0.832778 1.638543
H 3.069797 0.452424 2.690715
H -1.078331 -1.586047 -0.825499
H -2.183681 -1.487282 0.603471
H 4.605383 -0.918255 0.314108
H 5.284088 0.352308 1.354470
H 1.184469 -3.313035 0.435286
H 0.414172 -3.673695 -1.124376
H 6.506682 0.266712 -0.852500
H 5.654274 1.828885 -0.688646
H 4.975572 0.548152 -1.730983
H 1.482283 -5.756658 -0.163720
H -0.289800 -5.963668 -0.255230
H 0.487612 -5.603476 1.311907
H -3.109590 3.340262 1.380010
H -1.669246 3.094465 0.313884
H -1.796993 1.409978 -1.330771
H -3.267391 -0.351782 -2.464145
H -4.641761 0.760797 -2.139716
H -3.394581 1.201481 -3.356339


