%chk=000198545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198545

0 1
S -2.225119 -1.979295 -0.361807
P -2.194376 0.027650 0.265942
O 2.421476 1.624851 0.657697
O 1.522315 1.797888 -1.407923
O 0.715075 -2.458661 -1.648994
O -3.516396 0.180612 1.209666
O -2.606510 0.838586 -1.091710
O -0.942266 0.398990 0.968049
N 1.214196 -1.069472 0.094668
C 3.723043 -0.782376 -0.119875
C 2.306264 -0.392854 -0.633679
C 4.116423 -2.140724 -0.706751
C 3.820891 -0.794974 1.405750
C 2.028330 1.116206 -0.544178
C 0.462036 -2.063307 -0.522750
C -0.664641 -2.629706 0.316202
C 2.035167 3.004535 0.990802
C 0.838586 2.925352 1.910817
C -4.846893 -0.023561 0.654374
C -1.517039 1.257846 -1.981070
C -5.287852 1.163210 -0.176483
C -1.207583 0.164395 -2.979042
H 4.431262 -0.005954 -0.510516
H 2.239111 -0.671819 -1.732242
H 3.393790 -2.922248 -0.438939
H 4.165999 -2.116143 -1.801562
H 5.097115 -2.462689 -0.340136
H 3.236965 -1.608657 1.848583
H 3.454706 0.149414 1.836435
H 4.858325 -0.923163 1.732609
H 0.939092 -0.652570 0.995084
H -0.564083 -2.449210 1.403741
H -0.705673 -3.735485 0.185918
H 1.831662 3.562658 0.058949
H 2.948857 3.382186 1.481049
H 0.082085 2.213689 1.522692
H 1.105539 2.555809 2.907853
H 0.345730 3.895782 2.026410
H -5.431132 -0.113082 1.596278
H -4.897030 -0.980399 0.103464
H -0.629428 1.585007 -1.400423
H -1.985006 2.142275 -2.460399
H -5.081280 2.111782 0.339515
H -4.768053 1.217477 -1.148084
H -6.363590 1.126610 -0.384688
H -0.530704 -0.612292 -2.589830
H -2.118450 -0.348167 -3.317436
H -0.713038 0.578996 -3.868328


%chk=000198545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198545

0 1
S -1.797778 -1.897191 -1.777048
P -2.314418 -0.780031 0.182531
O 3.561438 1.423948 -0.911638
O 1.231707 1.354469 -0.953032
O 1.810410 -2.696389 -2.094298
O -3.729666 -1.459887 0.867766
O -2.893738 0.739126 -0.382145
O -1.106507 -0.808893 1.224235
N 1.278331 -1.375549 -0.235594
C 3.268506 -0.667781 1.145139
C 2.544165 -0.646376 -0.245967
C 3.617585 -2.119548 1.539826
C 2.442050 0.037738 2.246812
C 2.331068 0.795475 -0.735695
C 0.997723 -2.332477 -1.186817
C -0.386063 -2.978972 -1.061704
C 3.536339 2.849222 -1.368810
C 3.389102 3.799490 -0.177455
C -4.957678 -1.700627 0.044049
C -1.897133 1.741345 -0.909382
C -5.888605 -0.488234 0.060177
C -2.724422 2.853178 -1.540967
H 4.210092 -0.103988 0.997975
H 3.196116 -1.148772 -0.986635
H 2.702165 -2.722032 1.683114
H 4.230243 -2.613223 0.763105
H 4.186421 -2.134087 2.487572
H 1.473455 -0.466109 2.422761
H 2.231584 1.093318 1.991525
H 2.999122 0.028526 3.201197
H 0.529064 -1.093520 0.424318
H -0.643550 -3.216637 -0.016167
H -0.410325 -3.890380 -1.676863
H 2.707332 2.970523 -2.088047
H 4.504253 2.971187 -1.880177
H 2.409533 3.667833 0.312283
H 4.187013 3.626928 0.565355
H 3.462758 4.846748 -0.525110
H -5.413051 -2.575650 0.536743
H -4.657709 -1.986856 -0.983565
H -1.230119 1.242785 -1.634194
H -1.286208 2.096081 -0.062234
H -6.157351 -0.220027 1.095991
H -5.412225 0.383723 -0.417287
H -6.818941 -0.732860 -0.486964
H -3.329307 2.469534 -2.380233
H -3.398656 3.314569 -0.799209
H -2.046228 3.635344 -1.929534


