%chk=000218276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218276

0 1
S -2.436925 -1.601588 -0.135828
O -2.513564 -2.096025 1.217729
O -2.756513 -2.482538 -1.239938
O 5.912029 1.292308 -1.177302
O 6.268479 -0.260960 0.285477
N -0.791465 -1.095397 -0.402029
N -0.648623 0.696067 1.268820
N 5.533625 0.459889 -0.369261
C -3.302517 -0.124321 -0.281852
C -3.060366 0.920416 0.622101
C -0.143193 -0.120402 0.399939
C -2.038443 0.749571 1.723232
C 1.339764 0.026862 0.188866
C -4.251787 0.027174 -1.298368
C 0.017855 -1.903851 -1.348118
C -3.778355 2.117780 0.503451
C -4.968523 1.220054 -1.413438
C -4.729402 2.263047 -0.510780
C 1.820959 0.977835 -0.722717
C 2.221247 -0.777007 0.926376
C 3.195790 1.123904 -0.906273
C 3.597355 -0.635875 0.747797
C 4.073522 0.310696 -0.172613
H -2.072333 1.616742 2.433405
H -2.292319 -0.148659 2.355096
H -4.433216 -0.791809 -2.005788
H 0.717801 -2.573590 -0.820077
H 0.595289 -1.255103 -2.028598
H -0.642055 -2.533342 -1.980978
H -3.591822 2.938419 1.196189
H -5.709796 1.338352 -2.202775
H -5.287522 3.197293 -0.600028
H 1.122303 1.610179 -1.273557
H 1.831645 -1.499523 1.647017
H 3.596018 1.863001 -1.609557
H 4.305860 -1.249498 1.316081


%chk=000218276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218276

0 1
S -2.388690 -1.673301 0.237552
O -2.301472 -1.965918 1.831181
O -2.806404 -2.849607 -0.803274
O 6.189618 1.486403 -0.560212
O 6.382039 -0.711625 0.020507
N -0.710923 -1.042959 -0.358033
N -0.575472 0.954016 1.101091
N 5.683627 0.349433 -0.214180
C -3.423191 -0.143718 -0.148843
C -3.081644 1.046098 0.522476
C -0.076532 0.014525 0.338200
C -1.968399 1.114815 1.569990
C 1.421294 0.072981 0.154792
C -4.443649 -0.279573 -1.097831
C -0.153300 -1.788343 -1.504133
C -3.848053 2.186811 0.176176
C -5.193974 0.878351 -1.412471
C -4.891902 2.104005 -0.775859
C 2.027136 1.306027 -0.197915
C 2.233485 -1.064314 0.403260
C 3.424486 1.404866 -0.326689
C 3.634101 -0.977673 0.296065
C 4.208751 0.255819 -0.080537
H -2.017675 2.103379 2.056586
H -2.166142 0.351998 2.353199
H -4.636090 -1.246918 -1.572684
H 0.556254 -2.578939 -1.204652
H 0.351929 -1.082540 -2.184655
H -0.989042 -2.268179 -2.044570
H -3.623215 3.141823 0.664359
H -6.001844 0.818896 -2.148412
H -5.471633 3.000301 -1.020315
H 1.389310 2.181400 -0.349661
H 1.770840 -2.005749 0.716555
H 3.914814 2.341431 -0.604000
H 4.282363 -1.833922 0.498641


