%chk=000293067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293067

0 1
S -3.336665 -1.276174 -1.104364
S 4.037135 -0.800381 1.014493
O 0.031929 3.061247 1.276004
O -2.202937 0.636850 2.868275
O -2.680648 -0.124319 -1.697186
O -3.234492 -2.577016 -1.709864
O 3.556963 0.549045 1.147932
O 5.186821 -1.288557 1.733968
N -2.768142 -1.347456 0.517260
N 2.786317 -1.899313 1.487027
N -5.000201 -0.906324 -0.923066
N 4.278139 -1.109731 -0.653843
C -1.164184 1.061788 0.728268
C -0.542260 -0.303205 0.865716
C -1.346204 -1.464566 0.743954
C 0.823229 -0.449907 1.124391
C 1.394243 -1.728040 1.265098
C -0.141783 2.171937 0.471183
C -0.775528 -2.738410 0.908595
C -2.064101 1.385407 1.932803
C 0.582927 -2.879184 1.170015
C 0.597161 2.133270 -0.823511
C -2.787359 2.695971 1.841239
C 0.047492 1.569403 -1.983527
C 1.869477 2.729194 -0.868525
C -5.303320 0.405523 -0.303615
C -5.864510 -2.014685 -0.454969
C 3.130671 -0.780214 -1.532570
C 4.912441 -2.413168 -0.967946
C 0.761981 1.612968 -3.183336
C 2.580986 2.766555 -2.070121
C 2.024734 2.213870 -3.228607
H -1.841777 1.036057 -0.188872
H 1.451695 0.441516 1.264610
H -1.400439 -3.629445 0.824610
H -3.310821 -1.819321 1.250870
H 1.010031 -3.870747 1.297030
H 3.042167 -2.739809 2.021984
H -2.074845 3.523867 2.034776
H -3.572397 2.775014 2.605305
H -3.234018 2.885993 0.861640
H -0.944590 1.095666 -1.961348
H 2.298307 3.155077 0.044901
H -6.371899 0.646016 -0.451383
H -5.089584 0.457039 0.777131
H -4.727359 1.196565 -0.821531
H -5.840320 -2.184286 0.632525
H -6.912708 -1.798249 -0.736695
H -5.591000 -2.953176 -0.977146
H 2.740296 0.227824 -1.282409
H 2.298452 -1.501757 -1.485543
H 3.474792 -0.727545 -2.581110
H 5.784708 -2.575315 -0.304335
H 4.235142 -3.278062 -0.886973
H 5.303329 -2.384868 -2.001670
H 0.327712 1.182694 -4.084779
H 3.567232 3.227847 -2.101257
H 2.575179 2.253527 -4.168001


%chk=000293067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293067

0 1
S -3.325855 -1.495868 -1.186222
S 4.283249 -0.911568 0.886295
O 0.274962 2.953871 1.513475
O -1.882624 0.841020 3.279996
O -2.441947 -0.336603 -1.927628
O -3.349623 -3.006093 -1.809743
O 3.937733 0.663705 0.944402
O 5.615298 -1.567000 1.526141
N -2.656666 -1.370898 1.049791
N 2.864036 -1.813977 2.007726
N -5.120591 -0.871338 -1.329230
N 4.341814 -1.333586 -0.950958
C -1.100247 1.024492 0.943292
C -0.444911 -0.332754 1.160296
C -1.287223 -1.518734 1.187109
C 0.915874 -0.457660 1.447050
C 1.514317 -1.737935 1.689163
C -0.063153 2.130337 0.611723
C -0.671335 -2.798509 1.429706
C -1.942027 1.453767 2.190724
C 0.695414 -2.917565 1.661663
C 0.550789 2.197761 -0.753959
C -2.829442 2.673587 1.993881
C 0.044900 1.477866 -1.870990
C 1.677813 3.052550 -0.923742
C -5.258126 0.524872 -0.870683
C -6.093409 -1.844169 -0.792892
C 3.247745 -0.729877 -1.740308
C 4.660047 -2.752439 -1.203648
C 0.650666 1.630559 -3.138254
C 2.283532 3.191688 -2.186390
C 1.766315 2.484779 -3.301126
H -1.812232 0.930484 0.100043
H 1.556970 0.426341 1.520437
H -1.304273 -3.694641 1.416694
H -3.142702 -2.265699 1.279428
H 1.149546 -3.900311 1.836678
H 3.248933 -2.754882 2.200672
H -2.195103 3.579006 2.025008
H -3.568141 2.732335 2.808307
H -3.339990 2.654899 1.013921
H -0.819804 0.810047 -1.780195
H 2.057804 3.591628 -0.050140
H -6.202593 0.919483 -1.290356
H -5.287485 0.631796 0.235340
H -4.425560 1.117234 -1.284591
H -6.213126 -1.799184 0.311943
H -7.072979 -1.623686 -1.256855
H -5.792835 -2.859684 -1.100940
H 3.023465 0.276290 -1.352607
H 2.322713 -1.341629 -1.763697
H 3.622312 -0.614203 -2.774805
H 5.408026 -3.094491 -0.468998
H 3.771058 -3.418738 -1.191515
H 5.121884 -2.807441 -2.206894
H 0.241822 1.086426 -3.996486
H 3.153521 3.846256 -2.305672
H 2.229044 2.602585 -4.287876


