%chk=000247030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247030

0 1
S 4.392987 -0.206440 1.328114
O 0.686638 2.040040 -1.062010
O 0.314826 -2.654697 -0.030343
N -0.982217 -0.253515 -1.257048
N 2.135535 -1.425682 0.555441
N 2.336860 0.911150 0.028693
C 0.298225 -0.310030 -0.605355
C -2.136334 -0.077280 -0.414124
C 0.804028 -1.547766 -0.051449
C 1.071854 0.850931 -0.561117
C -3.384368 -0.519353 -0.900769
C -2.061873 0.629860 0.799784
C 2.808750 -0.216516 0.560565
C -4.542310 -0.235613 -0.177240
C -3.233237 0.900242 1.509549
C -4.474248 0.474453 1.026636
C 4.959673 1.488648 1.155047
H -1.084401 -1.034442 -1.920778
H 2.539676 -2.270842 0.976687
H -3.449486 -1.077919 -1.830993
H -1.102550 0.958627 1.191045
H -5.507623 -0.574745 -0.552634
H -3.176218 1.447604 2.450257
H -5.381231 0.689257 1.585350
H -0.230198 1.963665 -1.499442
H 5.959960 1.563194 1.602500
H 4.288182 2.202043 1.658128
H 5.016100 1.799825 0.099708


%chk=000247030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247030

0 1
S 4.801049 -0.121273 0.741170
O 0.219413 1.811623 -0.135946
O 0.828366 -3.006656 -0.535211
N -0.994093 -0.950245 -0.568484
N 2.576116 -1.550783 0.059048
N 2.238414 0.785574 0.299504
C 0.334325 -0.659837 -0.212556
C -2.166521 -0.279205 -0.166837
C 1.214404 -1.829015 -0.238569
C 0.907216 0.613128 -0.021344
C -3.365976 -0.485483 -0.909453
C -2.195789 0.586723 0.967955
C 3.030882 -0.269435 0.335017
C -4.552996 0.171130 -0.537087
C -3.396292 1.248332 1.319666
C -4.576444 1.056698 0.570349
C 4.896250 1.741470 0.978131
H -1.093595 -1.876002 -1.002954
H 3.210168 -2.356477 0.057689
H -3.349864 -1.149173 -1.781916
H -1.329058 0.652558 1.634650
H -5.465179 0.001302 -1.120005
H -3.403971 1.902193 2.199005
H -5.501182 1.572344 0.847750
H -0.769431 1.675896 -0.184130
H 5.948598 1.949139 1.225370
H 4.226078 2.038662 1.795669
H 4.596112 2.241509 0.047720


