%chk=000119462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000119462

0 1
S -0.304170 0.552430 -0.478133
O -2.600371 1.262284 -0.945487
O -4.146306 -0.345152 -0.671151
N -3.162892 -0.871845 1.998640
C -2.433729 0.032305 1.084561
C -1.049137 -0.542081 0.786362
C 1.411539 0.163153 -0.299478
C -3.182617 0.243082 -0.243139
C 2.020969 -0.633971 -1.269395
C 2.140264 0.707505 0.759641
C 3.393613 -0.890975 -1.174358
C 3.510777 0.441766 0.849828
C 4.135465 -0.355813 -0.115911
H -2.331001 1.037559 1.589284
H -0.434054 -0.567160 1.707098
H -1.093183 -1.580456 0.409450
H -3.321570 -1.785087 1.576908
H -4.073732 -0.490858 2.245581
H 1.441531 -1.051545 -2.093355
H 1.654987 1.337450 1.505242
H 3.883071 -1.508899 -1.925309
H 4.092060 0.859019 1.670385
H 5.203043 -0.559152 -0.043645
H -3.004459 1.401741 -1.847919


%chk=000119462-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000119462

0 1
S 0.035988 1.391240 0.983945
O -3.310639 0.935428 -1.287112
O -1.785088 -0.816346 -1.310135
N -3.441525 -0.853960 1.413495
C -2.512531 0.153988 0.869233
C -1.121429 -0.027621 1.500006
C 1.538407 0.488275 0.397702
C -2.438687 0.037135 -0.664224
C 1.460794 -0.568015 -0.541782
C 2.795218 0.934486 0.872492
C 2.650602 -1.188261 -0.987254
C 3.980152 0.321867 0.402943
C 3.911535 -0.745106 -0.522596
H -2.908671 1.152806 1.116760
H -1.218249 -0.014218 2.595755
H -0.656652 -0.972745 1.174810
H -3.206465 -1.823277 1.179315
H -4.434918 -0.636987 1.301346
H 0.489751 -0.890536 -0.933675
H 2.842580 1.745145 1.607245
H 2.588651 -2.008227 -1.711680
H 4.951279 0.671534 0.771009
H 4.829851 -1.225055 -0.878707
H -3.289857 0.793748 -2.273193


