%chk=000210047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210047

0 1
S -4.782574 -0.480377 0.739004
O 2.985305 -3.016842 -1.302774
O 4.946113 -2.402943 0.796932
O 0.495122 3.647326 -1.955857
O -4.762246 -1.087732 2.062625
O -5.674316 0.642096 0.486468
N 1.037521 2.652026 0.000988
C 0.848993 1.307741 -0.618356
C 1.941920 0.333058 -0.223395
C 1.526248 2.639985 1.397240
C 2.904557 1.962667 1.461930
C 2.908801 0.638426 0.751388
C -0.551788 0.824094 -0.257191
C 1.972740 -0.909337 -0.875721
C 3.922147 -0.286175 1.048312
C 0.876330 3.791728 -0.802166
C -1.637694 1.356610 -0.971538
C -0.777983 -0.097896 0.772715
C -3.160038 0.016474 0.347881
C 2.970090 -1.836000 -0.568606
C 3.962393 -1.516282 0.387712
C -5.158531 -1.737125 -0.475168
C -2.938414 0.957155 -0.662346
C -2.083513 -0.497086 1.073669
C 1.143898 5.135125 -0.191672
C -6.621988 -2.128608 -0.306475
C -4.224479 -2.924911 -0.290015
C 2.732944 -4.203947 -0.499726
C 5.824819 -2.863690 -0.267821
H 0.903811 1.444875 -1.746380
H 0.792253 2.075535 2.022219
H 1.574510 3.666577 1.813505
H 3.208789 1.842080 2.521797
H 3.675478 2.616898 0.998839
H 1.224228 -1.169195 -1.626116
H 4.688695 -0.063097 1.789903
H -1.458382 2.100573 -1.755195
H 0.058517 -0.503270 1.341836
H -5.022258 -1.325363 -1.506666
H -3.783220 1.396476 -1.203058
H -2.261548 -1.205210 1.891462
H 2.173585 5.237112 0.173091
H 0.457080 5.361133 0.635351
H 0.992129 5.920628 -0.952990
H -6.819580 -2.579722 0.677153
H -6.925938 -2.865284 -1.060807
H -7.292285 -1.261328 -0.413121
H -4.502052 -3.750099 -0.960468
H -3.179578 -2.674285 -0.510160
H -4.270241 -3.326647 0.734643
H 1.701676 -4.183481 -0.137994
H 3.445528 -4.267418 0.330194
H 2.884309 -5.010037 -1.225662
H 6.400414 -3.649568 0.232728
H 6.467131 -2.035344 -0.579238
H 5.247972 -3.258196 -1.112502


%chk=000210047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210047

0 1
S -4.907258 -0.420838 0.706911
O 3.081908 -3.063917 -1.321253
O 5.096460 -2.442489 0.720068
O 0.508365 3.721881 -1.959485
O -4.879133 -1.012980 2.238675
O -5.882615 0.827788 0.280591
N 1.134314 2.665612 0.011523
C 0.920740 1.332816 -0.621238
C 2.025015 0.349474 -0.228008
C 1.570475 2.635713 1.419049
C 2.960637 1.974410 1.517064
C 2.988430 0.643712 0.774462
C -0.505165 0.833504 -0.308021
C 2.078974 -0.898120 -0.895929
C 4.001135 -0.305880 1.056184
C 0.908438 3.807249 -0.752353
C -1.587755 1.352285 -1.069086
C -0.768034 -0.068990 0.753802
C -3.128488 0.067879 0.272948
C 3.073542 -1.847243 -0.599508
C 4.069536 -1.534454 0.373268
C -5.362116 -1.941705 -0.512928
C -2.916692 0.974494 -0.779739
C -2.091799 -0.456730 1.059801
C 1.148508 5.164254 -0.094908
C -6.882666 -2.072292 -0.449258
C -4.560816 -3.150999 -0.042347
C 2.869994 -4.273423 -0.490787
C 6.038857 -2.759016 -0.380576
H 0.971734 1.525032 -1.709994
H 0.832170 2.057268 2.009916
H 1.591418 3.656361 1.828228
H 3.232404 1.826338 2.579538
H 3.716298 2.659998 1.083501
H 1.333910 -1.157270 -1.656246
H 4.766794 -0.097484 1.812114
H -1.377002 2.068472 -1.871129
H 0.063581 -0.480167 1.336375
H -5.015465 -1.534475 -1.479522
H -3.765389 1.393458 -1.330810
H -2.325375 -1.124466 1.896163
H 2.173826 5.262491 0.305036
H 0.437016 5.345678 0.731641
H 0.992242 5.934014 -0.864457
H -7.207879 -2.434530 0.541842
H -7.216722 -2.800736 -1.211938
H -7.372972 -1.104110 -0.650502
H -4.835161 -4.029586 -0.656288
H -3.472282 -2.994137 -0.139365
H -4.794291 -3.379118 1.012926
H 1.856648 -4.254703 -0.046520
H 3.628850 -4.342855 0.309216
H 2.959182 -5.123535 -1.183929
H 6.727488 -3.511642 0.032232
H 6.601420 -1.850856 -0.668362
H 5.502167 -3.161533 -1.258189


