%chk=000281142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281142

0 1
S -2.258405 0.422388 2.206439
P -2.137494 0.039865 0.340838
O -0.903099 0.698225 -0.537394
O 3.473550 -1.062287 -0.068790
O -2.038675 -1.542458 -0.076753
O -3.407676 0.506615 -0.584034
O 2.936504 0.569745 -1.526815
C 1.123744 -0.668898 -0.361260
C 0.373222 0.583642 0.063701
C 0.552888 -1.274647 -1.652410
C 1.099789 -1.692727 0.778606
C 2.567721 -0.267448 -0.738703
C 0.816386 1.618834 0.810482
C 2.163462 1.615294 1.455499
C -0.002536 2.847869 1.033652
C 4.894222 -0.887791 -0.363176
C -3.072479 -2.421711 0.483288
C -3.841096 1.900602 -0.452570
C 5.431707 0.335144 0.351856
C -2.701509 -3.777773 -0.085266
C -5.046357 1.966211 -1.370812
H -0.419325 -1.762034 -1.475883
H 0.384007 -0.498402 -2.412954
H 1.215977 -2.036160 -2.074934
H 0.101706 -2.138664 0.891085
H 1.372267 -1.242622 1.740813
H 1.804446 -2.514531 0.593729
H 2.525332 0.605115 1.701202
H 2.162204 2.182898 2.396731
H 2.910575 2.082168 0.792650
H 0.625490 3.743614 1.129543
H -0.701251 3.038011 0.206813
H -0.594449 2.763283 1.960878
H 5.021137 -0.825621 -1.458772
H 5.305124 -1.836075 0.028408
H -3.013638 -2.401908 1.589550
H -4.064566 -2.078993 0.132093
H -4.108070 2.111554 0.601729
H -3.021019 2.560113 -0.795522
H 5.024530 1.258538 -0.087011
H 5.165015 0.330407 1.415839
H 6.524209 0.392044 0.280760
H -2.697776 -3.759042 -1.184484
H -1.691512 -4.078012 0.226433
H -3.403504 -4.554065 0.240072
H -4.784800 1.633956 -2.386425
H -5.849874 1.302731 -1.023346
H -5.446505 2.984006 -1.436976


%chk=000281142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281142

0 1
S -2.411514 0.235858 2.335651
P -2.252353 -0.062749 0.293122
O -0.844440 0.526890 -0.560269
O 3.723325 -1.086332 -0.055518
O -2.290413 -1.690256 -0.276655
O -3.505675 0.595862 -0.692978
O 3.051723 0.673135 -1.422823
C 1.325636 -0.665305 -0.226525
C 0.461329 0.583045 0.040728
C 0.822518 -1.432404 -1.497416
C 1.276697 -1.619334 0.999873
C 2.758699 -0.241200 -0.619769
C 0.808285 1.712029 0.724992
C 2.162133 1.891351 1.385416
C -0.120606 2.904319 0.857469
C 5.137842 -0.860500 -0.488797
C -3.403740 -2.575126 0.191706
C -3.982527 1.986427 -0.429112
C 5.820505 0.184218 0.398047
C -3.022414 -3.994500 -0.216582
C -5.321314 2.124932 -1.146909
H -0.190016 -1.828244 -1.324079
H 0.795795 -0.764109 -2.373639
H 1.504775 -2.276631 -1.706115
H 0.226800 -1.903488 1.193411
H 1.673837 -1.137790 1.909406
H 1.862365 -2.533478 0.807760
H 2.708946 0.948599 1.547258
H 2.030532 2.376451 2.371181
H 2.803395 2.554710 0.772288
H 0.452510 3.841204 0.720673
H -0.930704 2.879516 0.111842
H -0.577916 2.938134 1.864979
H 5.133361 -0.545606 -1.547177
H 5.600681 -1.855457 -0.386600
H -3.504197 -2.471513 1.289633
H -4.336468 -2.239274 -0.297265
H -4.079653 2.134276 0.664453
H -3.229068 2.689789 -0.830163
H 5.350760 1.173619 0.269078
H 5.766503 -0.104574 1.462134
H 6.887024 0.270399 0.118034
H -2.895759 -4.066219 -1.310020
H -2.080455 -4.301677 0.268526
H -3.820410 -4.696211 0.089478
H -5.206576 1.929966 -2.226466
H -6.060786 1.416094 -0.737411
H -5.709374 3.152158 -1.016451


