%chk=000298113.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298113

0 1
S 3.165234 -3.327469 0.331475
O -0.547479 -0.990631 0.897487
O 0.744856 2.811633 -1.155226
N 1.836185 1.168796 -0.029729
N -1.229007 0.958355 -0.070357
N -2.465127 1.050152 0.613681
C 1.017438 0.104898 -0.651025
C 1.797552 -1.219501 -0.748562
C -0.302892 -0.055400 0.148129
C 2.214755 -1.802446 0.593483
C -3.584283 0.354374 -0.132273
C -4.880458 1.016301 0.349776
C -3.609787 -1.158820 0.102599
C 1.634901 2.511450 -0.371289
C 2.558019 3.492199 0.283417
C 1.883804 -4.591220 0.182220
H 0.750648 0.431321 -1.701508
H 2.687803 -1.061459 -1.395543
H 1.159801 -1.951158 -1.292307
H 1.322985 -1.994570 1.234562
H 2.869937 -1.119899 1.164950
H -3.454796 0.556421 -1.227626
H 2.525250 0.878085 0.656319
H -1.012446 1.809100 -0.622016
H -2.369733 0.628585 1.559523
H -5.742891 0.631214 -0.204115
H -5.065301 0.839501 1.415187
H -4.844822 2.104532 0.205823
H -2.622192 -1.612591 -0.065831
H -4.321905 -1.654435 -0.564066
H -3.894413 -1.414308 1.129657
H 2.354363 4.509444 -0.095366
H 2.423441 3.528264 1.373811
H 3.616717 3.281653 0.080220
H 2.382121 -5.559354 0.040928
H 1.265557 -4.652190 1.085292
H 1.228167 -4.411924 -0.675899


%chk=000298113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298113

0 1
S 3.334561 -3.432968 0.473123
O -0.518990 -1.217053 0.920431
O 0.491555 2.758456 -1.088772
N 1.816852 1.120642 -0.122852
N -1.223629 0.790763 -0.024365
N -2.417676 0.852339 0.762216
C 1.011227 -0.005368 -0.655636
C 1.847116 -1.304670 -0.734329
C -0.304908 -0.215941 0.154389
C 2.508003 -1.734325 0.592108
C -3.671708 0.604891 -0.035070
C -4.857040 0.782591 0.932646
C -3.696443 -0.769749 -0.744706
C 1.526485 2.437882 -0.408187
C 2.491906 3.484046 0.125654
C 1.792216 -4.517030 0.513441
H 0.711347 0.292853 -1.679547
H 2.623505 -1.190937 -1.513849
H 1.163613 -2.106685 -1.064240
H 1.762010 -1.777231 1.400978
H 3.339000 -1.067501 0.890817
H -3.712740 1.406033 -0.798648
H 2.607818 0.898435 0.483571
H -0.937265 1.653046 -0.524804
H -2.314116 0.132854 1.502030
H -5.814953 0.686582 0.391777
H -4.838410 0.008104 1.723820
H -4.818497 1.773737 1.416046
H -2.802787 -0.898402 -1.381155
H -4.592553 -0.861426 -1.386117
H -3.711236 -1.591178 -0.004489
H 2.895871 4.064728 -0.721483
H 1.941163 4.189747 0.770854
H 3.333069 3.055843 0.697108
H 2.146508 -5.551883 0.640976
H 1.158838 -4.228881 1.366765
H 1.222292 -4.433444 -0.424700


