%chk=000252996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252996

0 1
S 1.907409 -0.252828 -1.522348
S -2.086173 -0.325280 1.556202
O 1.985749 1.237439 -0.727095
O -2.384149 1.066449 0.655149
O 2.666604 -0.088507 -2.742168
O 0.496660 -0.563420 -1.639521
O -2.821155 -0.175779 2.791288
O -0.642085 -0.447941 1.642796
N -0.347224 3.409099 -0.296604
C 0.132897 2.645420 -1.472242
C -0.489162 2.590486 0.937328
C -0.047004 4.786829 -0.186955
C 1.653105 2.410055 -1.484205
C -1.982261 2.330622 1.203450
C -0.329179 5.485304 1.013516
C 0.439614 5.515388 -1.300165
C 2.717138 -1.240230 -0.397505
C -2.786700 -1.492963 0.533435
C -0.131558 6.862007 1.083644
C 0.625950 6.893016 -1.205349
C 0.347631 7.577301 -0.018541
C 2.146083 -1.519945 0.851154
C -2.203563 -1.796746 -0.704183
C 3.978193 -1.766199 -0.720831
C -3.966423 -2.143235 0.927272
C 4.083137 -2.859388 1.441619
C -3.966484 -3.407603 -1.142360
C 2.824880 -2.326595 1.764924
C -2.789536 -2.750693 -1.536573
C 4.656934 -2.572702 0.187336
C -4.552603 -3.096664 0.100047
C 4.811431 -3.709304 2.427061
C -4.596830 -4.416002 -2.042448
H -0.409889 1.663434 -1.491628
H -0.179558 3.179111 -2.399174
H 0.059512 1.617586 0.828551
H -0.021083 3.087266 1.815897
H 2.056416 2.325330 -2.511463
H 2.205898 3.209473 -0.947617
H -2.231050 2.369317 2.279322
H -2.632244 3.043776 0.651070
H -0.709864 4.957695 1.883015
H 0.657152 5.015783 -2.238803
H -0.354715 7.387531 2.012271
H 0.996767 7.442443 -2.070764
H 0.499432 8.649512 0.046381
H 1.157736 -1.105715 1.124479
H -1.278942 -1.286685 -1.031804
H 4.430701 -1.541389 -1.694640
H -4.428481 -1.900140 1.892073
H 2.372350 -2.534636 2.734102
H -2.329160 -2.977355 -2.497731
H 5.633360 -2.978211 -0.070173
H -5.466635 -3.597981 0.411828
H 4.138524 -4.400181 2.955773
H 5.600534 -4.319204 1.966771
H 5.294961 -3.085166 3.195913
H -3.851016 -5.070632 -2.516592
H -5.311895 -5.067679 -1.522482
H -5.148236 -3.919078 -2.856907


%chk=000252996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252996

0 1
S 2.090206 -0.603494 -1.676873
S -2.040708 -0.584008 1.745639
O 2.214190 1.162219 -1.063522
O -2.228588 1.128457 1.007889
O 2.882458 -0.708462 -3.085390
O 0.530319 -1.060307 -1.629464
O -2.834961 -0.620460 3.156677
O -0.464641 -0.982791 1.733521
N -0.049716 3.103955 -0.083866
C -0.003233 2.307398 -1.319273
C -0.070365 2.390414 1.202187
C -0.084822 4.510016 -0.132334
C 1.419608 2.115148 -1.886082
C -1.488106 2.169914 1.771649
C -0.250397 5.295755 1.054541
C 0.043888 5.217449 -1.371735
C 3.078043 -1.392515 -0.300410
C -2.991997 -1.500718 0.424727
C -0.280230 6.703334 0.996287
C 0.004288 6.625394 -1.412541
C -0.155841 7.388740 -0.233699
C 2.427258 -1.680714 0.910278
C -2.327984 -1.833614 -0.767278
C 4.429789 -1.670013 -0.558326
C -4.331028 -1.819070 0.700448
C 4.573745 -2.599550 1.722023
C -4.432730 -2.888693 -1.519979
C 3.199755 -2.294668 1.919832
C -3.072420 -2.538608 -1.737362
C 5.172006 -2.285676 0.472788
C -5.045284 -2.526291 -0.291063
C 5.388139 -3.233172 2.834062
C -5.216949 -3.622390 -2.591491
H -0.445112 1.317041 -1.123494
H -0.636663 2.780992 -2.094402
H 0.417430 1.410032 1.076111
H 0.533424 2.944090 1.947244
H 1.393794 1.772375 -2.941085
H 2.004974 3.050363 -1.833380
H -1.456713 1.898242 2.847067
H -2.115496 3.071458 1.654681
H -0.365639 4.814320 2.029880
H 0.183242 4.675050 -2.311346
H -0.409802 7.268474 1.926985
H 0.107451 7.129448 -2.380895
H -0.182579 8.482329 -0.272286
H 1.366819 -1.451475 1.071324
H -1.277832 -1.569804 -0.942176
H 4.875983 -1.429530 -1.528334
H -4.788589 -1.538707 1.654337
H 2.721628 -2.535629 2.875910
H -2.583522 -2.815694 -2.678099
H 6.228284 -2.522225 0.303299
H -6.090850 -2.796606 -0.106434
H 4.808803 -4.006018 3.369259
H 6.311169 -3.699180 2.449623
H 5.685638 -2.473347 3.582178
H -4.609455 -4.413392 -3.065519
H -6.130120 -4.087644 -2.183412
H -5.528056 -2.926344 -3.394098


