%chk=000259715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259715

0 1
S -2.750862 -0.184278 -0.944790
O -1.124721 -1.829166 0.014464
O 1.091126 0.294204 1.661581
O -0.335490 1.701846 -0.290482
O 1.755749 -1.979920 -1.000707
O 2.168668 2.255366 1.278020
O 0.754291 2.185519 -2.216610
O 2.421422 -4.027363 -0.314212
O -3.784176 0.398359 1.409776
C 1.198216 -0.100297 0.263959
C -0.092367 0.290626 -0.488551
C 1.336328 -1.634740 0.352677
C -1.301677 -0.414200 0.130581
C 0.023724 -2.337478 0.725714
C 1.577904 1.535701 2.044331
C 0.214977 2.587223 -1.217345
C 2.293527 -3.237968 -1.218066
C -4.038254 0.275457 0.248061
C 1.249876 1.733598 3.480137
C 0.005452 3.967555 -0.715560
C 2.634468 -3.359203 -2.658100
C -5.336773 0.455008 -0.442229
H 2.092898 0.382660 -0.195532
H 0.034847 0.066893 -1.579930
H 2.149118 -1.929988 1.058198
H -1.492904 -0.109309 1.186260
H 0.023474 -3.404160 0.422028
H -0.163595 -2.249832 1.812747
H 2.118769 2.123000 4.034025
H 0.432323 2.465957 3.592922
H 0.917704 0.804153 3.972085
H 0.842492 4.251020 -0.047923
H -0.920296 4.067522 -0.127786
H -0.023119 4.693238 -1.542307
H 3.693632 -3.632875 -2.790493
H 2.454573 -2.423539 -3.215855
H 2.031067 -4.148479 -3.136839
H -6.117781 0.797624 0.257577
H -5.284034 1.193993 -1.258947
H -5.697676 -0.485726 -0.893080


%chk=000259715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259715

0 1
S -2.840918 -0.081726 -1.074624
O -1.089056 -1.922082 -0.175970
O 0.949379 0.242598 1.713285
O -0.334288 1.728861 -0.345219
O 1.754741 -1.973415 -1.105756
O 2.126913 2.244617 1.422212
O 1.012607 2.176443 -2.200757
O 2.716590 -3.950666 -0.329834
O -3.726802 0.276116 1.516071
C 1.160972 -0.119851 0.284240
C -0.086595 0.286273 -0.536803
C 1.346036 -1.646926 0.288516
C -1.326161 -0.477104 -0.043919
C 0.039408 -2.362803 0.668690
C 1.455848 1.484803 2.150128
C 0.330482 2.595955 -1.243721
C 2.441341 -3.189172 -1.282632
C -4.049739 0.275255 0.310660
C 1.049811 1.726140 3.584338
C 0.108386 4.030493 -0.839179
C 2.750724 -3.407514 -2.743909
C -5.448720 0.530990 -0.211952
H 2.054959 0.398760 -0.102176
H 0.125240 0.069665 -1.600125
H 2.151701 -1.945570 0.984045
H -1.580904 -0.205861 1.001106
H 0.117725 -3.447620 0.506336
H -0.176935 -2.158600 1.737457
H 1.657905 2.536174 4.012246
H -0.015251 2.019819 3.615693
H 1.156981 0.807300 4.182903
H 0.816082 4.271871 -0.024452
H -0.914265 4.180340 -0.458546
H 0.306863 4.696068 -1.692075
H 3.515711 -4.190470 -2.848626
H 3.088768 -2.471210 -3.216113
H 1.833198 -3.730563 -3.268620
H -5.930409 1.319092 0.390812
H -5.449911 0.814903 -1.276529
H -6.045519 -0.393382 -0.097400


