%chk=000262385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262385

0 1
S 2.233570 1.525063 -0.761526
O 1.208831 0.355960 0.059616
O 1.929202 2.792540 -0.159343
O 1.944446 1.309802 -2.144888
O -0.636776 -3.163142 0.449515
O 1.188860 -2.115260 -0.017573
N -0.014814 -2.142989 0.188335
C -2.933465 0.221790 0.043449
C -0.131931 0.361458 0.004998
C 3.713173 0.877701 -0.247751
C -0.774235 -0.894668 0.113070
C -4.410446 0.168367 0.061625
C -2.184642 -0.946916 0.141360
C -2.274744 1.469981 -0.072067
C -0.891753 1.547038 -0.086337
C 3.912904 -0.511803 -0.254865
C 4.738360 1.726956 0.200303
C 6.165766 -0.196603 0.591565
C 5.133188 -1.044545 0.158440
C 5.957111 1.197772 0.609674
C -5.080679 -0.419547 1.146123
C -5.146511 0.705786 -1.006434
C 7.475846 -0.763684 1.017847
C -6.477049 -0.466129 1.159686
C -6.542504 0.653880 -0.986201
C -7.209599 0.069585 0.095476
H -2.674867 -1.924809 0.233892
H -2.872003 2.383775 -0.140170
H -0.388613 2.518592 -0.144295
H 3.101268 -1.188412 -0.569102
H 4.579220 2.810538 0.234358
H 5.277721 -2.125326 0.150034
H 6.751133 1.860880 0.950096
H -4.512838 -0.834004 1.977777
H -4.629510 1.153309 -1.853691
H 7.997633 -0.129093 1.748240
H 7.375280 -1.759138 1.475525
H 8.150422 -0.878478 0.153470
H -6.995438 -0.921679 2.002351
H -7.112016 1.068204 -1.816972
H -8.297204 0.030749 0.108391


%chk=000262385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262385

0 1
S 2.257126 1.367952 -0.964384
O 1.085002 1.176976 0.741114
O 2.433127 2.968589 -1.171904
O 1.583794 0.462392 -2.130000
O -0.494781 -2.675026 1.234731
O 1.304132 -1.579935 0.373310
N 0.064888 -1.625517 0.722909
C -3.062809 0.428180 0.186710
C -0.226032 0.895250 0.488004
C 3.874912 0.650263 -0.361778
C -0.782287 -0.429453 0.523119
C -4.522944 0.188263 0.039872
C -2.165858 -0.649425 0.400008
C -2.516053 1.745665 0.123580
C -1.141624 1.969980 0.273818
C 4.084012 -0.733689 -0.475479
C 4.816428 1.547570 0.170144
C 6.326533 -0.376521 0.495726
C 5.330427 -1.234012 -0.044689
C 6.050817 1.013465 0.597248
C -5.154937 -0.901222 0.703429
C -5.325450 1.042757 -0.767494
C 7.667396 -0.933273 0.934096
C -6.539939 -1.126716 0.566012
C -6.710318 0.816012 -0.906511
C -7.325246 -0.269432 -0.239784
H -2.525011 -1.681288 0.440600
H -3.185508 2.601597 -0.009527
H -0.726423 2.982602 0.255356
H 3.308730 -1.390612 -0.876424
H 4.597657 2.617822 0.232531
H 5.524477 -2.309688 -0.119602
H 6.807809 1.687027 1.014161
H -4.567715 -1.556071 1.356972
H -4.859661 1.867266 -1.318770
H 8.146420 -0.291357 1.692914
H 7.566115 -1.948515 1.355194
H 8.361715 -1.003127 0.074334
H -7.007906 -1.964824 1.093679
H -7.307645 1.478812 -1.542022
H -8.401073 -0.445237 -0.347198


