%chk=000186791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186791

0 1
S -2.909958 -0.808403 -1.427003
P -3.289687 0.981268 -0.401349
O -1.948872 1.206541 0.564796
O 1.445064 0.602208 1.074569
O -4.484864 0.979698 0.470912
O 2.245604 1.862062 -0.621370
C -1.934531 -2.138903 0.812881
C -3.141478 -2.074335 -0.105503
C -0.678804 -2.685151 0.118615
C -0.638080 1.239471 -0.040155
C 0.544517 -2.595170 1.027600
C -3.186457 2.207537 -1.789537
C 0.270677 1.452792 1.175483
C 3.550662 -0.024611 0.272720
C 4.276568 -0.218630 -1.064984
C 2.405545 0.933060 0.132916
C 5.505819 -1.105727 -0.906264
H -2.183375 -2.783702 1.684039
H -1.715600 -1.145307 1.262179
H -4.073506 -1.866435 0.460442
H -3.302131 -3.026794 -0.648226
H -0.845557 -3.736238 -0.187503
H -0.484661 -2.126719 -0.819072
H -0.560990 2.072016 -0.763210
H -0.408169 0.273078 -0.535935
H -2.397525 1.979228 -2.515696
H -4.137801 2.244039 -2.343673
H -3.008090 3.221490 -1.402109
H 0.387655 -3.123013 1.974706
H 1.425980 -3.034217 0.549247
H 0.785204 -1.549090 1.272547
H -0.207515 1.083955 2.107158
H 0.593762 2.499988 1.292310
H 4.251255 0.368267 1.043253
H 3.196618 -0.999358 0.675323
H 4.567962 0.770789 -1.477806
H 3.582403 -0.659734 -1.808660
H 6.238463 -0.669986 -0.216609
H 5.246831 -2.100711 -0.525767
H 6.013260 -1.248252 -1.868763


%chk=000186791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186791

0 1
S -2.781369 -1.110780 -1.518356
P -2.980655 0.965661 -0.521757
O -1.509515 1.238938 0.402369
O 2.087248 0.410462 0.775001
O -4.258657 1.088536 0.425059
O 2.626563 2.269499 -0.529082
C -2.965032 -2.436496 1.044509
C -3.800596 -2.018100 -0.173587
C -1.863339 -3.475098 0.743240
C -0.203989 0.756925 -0.090594
C -1.034443 -3.836099 1.994519
C -2.873002 2.180057 -1.930728
C 0.760085 1.018335 1.072107
C 4.295660 0.471505 -0.168013
C 5.113320 0.965319 -1.380334
C 2.954212 1.168792 -0.031244
C 6.508686 0.309781 -1.436611
H -3.667413 -2.857096 1.795622
H -2.521823 -1.534277 1.510648
H -4.608152 -1.319759 0.109646
H -4.227512 -2.883354 -0.710417
H -2.329129 -4.391537 0.326503
H -1.195770 -3.075893 -0.046389
H 0.112249 1.322055 -0.988166
H -0.257250 -0.323379 -0.326811
H -1.967885 1.990125 -2.528716
H -3.766186 2.063614 -2.563343
H -2.838823 3.196770 -1.507963
H -1.675842 -4.257680 2.791418
H -0.253756 -4.582293 1.759315
H -0.532201 -2.940971 2.408128
H 0.412805 0.511421 1.984423
H 0.875156 2.101348 1.245221
H 4.861681 0.655748 0.768507
H 4.125930 -0.620067 -0.207628
H 5.206790 2.065442 -1.328691
H 4.556131 0.746671 -2.311439
H 7.098822 0.546998 -0.531147
H 6.433972 -0.791599 -1.510240
H 7.079227 0.667478 -2.312475


