%chk=000248707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248707

0 1
S 1.614350 1.351839 -0.814066
O -1.944583 -2.543277 -0.292434
O -4.493050 -1.360714 0.490494
N -2.460677 2.990590 0.289223
N -1.476378 3.763383 0.105253
C -1.074183 1.009347 -0.168156
C -2.332777 1.595746 0.167105
C 0.014641 1.916344 -0.348581
C -0.979760 -0.405778 -0.288300
C -2.097298 -1.186363 -0.080568
C -3.370409 -0.583293 0.234539
C -3.487661 0.780122 0.360942
C 2.237424 0.634472 0.749385
C 3.490979 -0.071949 0.352298
C -0.201604 3.268336 -0.216289
C 4.717561 0.611863 0.356868
C 3.450005 -1.423017 -0.029361
C 5.889636 -0.052610 -0.013194
C 4.625969 -2.080970 -0.397951
C 5.846945 -1.398728 -0.389789
C -2.368575 -3.397299 0.807636
C -5.039934 -1.994840 -0.701427
H -0.033146 -0.876973 -0.564918
H -4.445966 1.248747 0.601883
H 1.488730 -0.045712 1.198122
H 2.417871 1.437219 1.490128
H 0.575169 4.029419 -0.346602
H 4.757554 1.661706 0.643402
H 2.502464 -1.958882 -0.044868
H 6.838839 0.481456 -0.009487
H 4.590256 -3.128248 -0.694633
H 6.761360 -1.913793 -0.677774
H -3.384059 -3.149926 1.139080
H -1.648835 -3.298559 1.624974
H -2.322732 -4.393083 0.352398
H -5.421440 -1.226157 -1.379486
H -5.855456 -2.597323 -0.285865
H -4.281130 -2.617893 -1.186983


%chk=000248707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248707

0 1
S 1.596151 1.355707 -1.087773
O -2.125043 -2.549054 -0.365672
O -4.594539 -1.323759 0.572612
N -2.515336 3.026599 0.427217
N -1.477498 3.845396 0.154249
C -1.140647 1.037349 -0.252131
C -2.365512 1.648751 0.230667
C -0.048173 1.935589 -0.492378
C -1.099495 -0.376919 -0.436165
C -2.214755 -1.163464 -0.145367
C -3.450916 -0.546447 0.299031
C -3.507371 0.830390 0.496590
C 2.235913 0.520070 0.547292
C 3.565213 -0.136386 0.282757
C -0.270151 3.302034 -0.287223
C 4.775608 0.572940 0.497761
C 3.629228 -1.471785 -0.194889
C 6.022909 -0.040801 0.247757
C 4.874933 -2.087115 -0.445658
C 6.076060 -1.372788 -0.224586
C -2.361021 -3.408022 0.823450
C -5.199989 -1.977974 -0.615691
H -0.193303 -0.856815 -0.818923
H -4.432171 1.305508 0.834869
H 1.461634 -0.201820 0.851748
H 2.303559 1.329709 1.290006
H 0.517146 4.040126 -0.461042
H 4.737510 1.607092 0.860770
H 2.699864 -2.027437 -0.370956
H 6.949850 0.516873 0.421233
H 4.910498 -3.119356 -0.811237
H 7.043285 -1.849705 -0.418212
H -3.339061 -3.188028 1.284768
H -1.550866 -3.252910 1.560075
H -2.330936 -4.439744 0.443381
H -5.572212 -1.208617 -1.317162
H -6.041468 -2.568287 -0.224038
H -4.468796 -2.631698 -1.124129


