%chk=000277894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277894

0 1
S -0.515199 -1.929965 -0.020599
O -0.840642 -2.927657 0.983639
O -0.279875 -2.360711 -1.376354
N 1.432448 -0.214183 -0.124677
N 0.952015 -1.247742 0.639177
C 4.432109 1.882685 -0.232935
C 4.948856 0.712576 0.628098
C 3.067554 1.451607 -0.799831
C 3.726718 -0.155640 0.979701
C 2.625040 0.273143 0.038769
C -1.653129 -0.647620 0.022144
C -1.625374 0.354699 -0.954255
C -2.617766 -0.606166 1.037430
C -3.532479 1.431451 0.090214
C -2.560572 1.390391 -0.923319
C -3.554361 0.424829 1.073521
C -4.528930 2.540877 0.137468
H 5.141379 2.130833 -1.039245
H 4.323900 2.794906 0.380004
H 5.457986 1.076582 1.535217
H 5.693535 0.120005 0.067581
H 3.147131 1.151312 -1.863070
H 2.328740 2.272861 -0.765560
H 3.414766 0.001619 2.030177
H 3.955002 -1.231510 0.875064
H 1.594651 -1.828076 1.196642
H -0.867600 0.328826 -1.746345
H -2.639136 -1.391278 1.803562
H -2.533731 2.165419 -1.686441
H -4.302618 0.451022 1.863025
H -5.523079 2.193678 0.453502
H -4.215536 3.314557 0.856090
H -4.658304 3.038370 -0.833494


%chk=000277894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277894

0 1
S -0.480353 -1.847224 -0.165626
O -0.791214 -3.040224 0.898587
O -0.199785 -2.152792 -1.738915
N 1.582217 -0.018859 -0.186113
N 1.017749 -0.948516 0.679429
C 4.728002 1.845081 -0.048864
C 5.148833 0.540037 0.684871
C 3.477867 1.424739 -0.867461
C 3.800818 -0.128420 1.071193
C 2.825975 0.355069 -0.001971
C -1.800571 -0.522913 -0.047780
C -2.018952 0.294777 -1.166347
C -2.539022 -0.429043 1.142425
C -3.812766 1.413433 0.106968
C -3.039573 1.267302 -1.074625
C -3.553082 0.550331 1.206055
C -4.888536 2.479860 0.202905
H 5.534180 2.255434 -0.680799
H 4.452080 2.620829 0.690661
H 5.793724 0.728554 1.560141
H 5.708070 -0.116463 -0.008283
H 3.780909 0.981441 -1.837854
H 2.784569 2.252460 -1.091208
H 3.450789 0.211438 2.067908
H 3.866414 -1.234858 1.122517
H 1.623446 -1.732244 1.019891
H -1.424229 0.160612 -2.074923
H -2.340344 -1.110952 1.975279
H -3.236822 1.919574 -1.932884
H -4.152407 0.643283 2.119066
H -5.762167 2.123758 0.776718
H -4.503630 3.380853 0.718693
H -5.238691 2.795343 -0.794753


