%chk=000288051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288051

0 1
S 2.188808 -1.624443 0.578111
O 0.131412 3.371420 -0.929783
O 2.415768 3.188131 -1.136985
O 1.210530 0.790647 0.710154
O 3.414136 -0.713256 -1.588390
N -0.725764 -0.088308 -0.342583
N -1.190990 -2.114928 -1.341550
N -2.468332 -0.167835 1.465213
N -3.829180 -2.202374 1.373445
N -3.504850 -3.903894 -0.236522
C 0.372722 1.992521 -1.207088
C 1.917651 1.864256 -1.334314
C -0.017980 1.141877 0.033848
C 2.347305 0.946730 -0.168683
C 1.379098 4.038327 -0.558366
C 1.514064 4.090839 0.946762
C 1.421124 5.361064 -1.285758
C 2.783244 -0.443372 -0.605056
C -1.781958 -0.661746 0.386151
C -0.397277 -1.044758 -1.371569
C -2.068698 -1.914993 -0.259602
C -3.136855 -2.690948 0.281275
C 2.823262 -3.204157 -0.098252
C -3.464379 -0.990145 1.896466
C 3.627809 -3.889562 0.980794
H -0.215878 1.771337 -2.117840
H 2.313971 1.547448 -2.320035
H -0.607595 1.705098 0.807482
H 3.134925 1.423783 0.467027
H 2.461776 4.554867 1.247893
H 0.696852 4.666937 1.400748
H 1.486576 3.087239 1.399258
H 2.401372 5.844018 -1.176847
H 1.243262 5.224692 -2.363125
H 0.651815 6.049783 -0.913315
H 0.400386 -0.862736 -2.078022
H 1.948504 -3.807149 -0.411970
H 3.430589 -3.012973 -1.008395
H -4.050475 -0.646869 2.767113
H 4.504254 -3.300113 1.285263
H 3.037728 -4.082711 1.887495
H 4.003304 -4.862443 0.631390
H -3.029096 -4.278354 -1.042581
H -4.273441 -4.421745 0.159442


%chk=000288051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288051

0 1
S 2.125912 -1.853917 1.075204
O 0.178444 3.389821 -0.911306
O 2.495288 3.007854 -1.095646
O 0.957237 0.885289 0.960813
O 3.104872 -0.952829 -1.324922
N -0.881540 -0.110744 -0.325180
N -1.376364 -2.082796 -1.400773
N -2.680982 -0.131494 1.390697
N -4.115012 -2.122981 1.203425
N -3.785781 -3.796467 -0.432609
C 0.327816 1.948911 -1.117667
C 1.873050 1.683948 -1.151094
C -0.213747 1.128052 0.083690
C 2.156940 0.809236 0.102695
C 1.505852 3.983907 -0.560013
C 1.638914 4.142349 0.961313
C 1.662106 5.285005 -1.339905
C 2.535955 -0.647515 -0.248283
C -1.995696 -0.654071 0.336880
C -0.556889 -1.020422 -1.355581
C -2.283724 -1.864741 -0.344168
C -3.400033 -2.612194 0.134666
C 2.892851 -3.398920 0.272249
C -3.726137 -0.933676 1.758447
C 4.402614 -3.500677 0.524772
H -0.196618 1.697552 -2.053901
H 2.239517 1.195707 -2.067285
H -0.933863 1.694578 0.694353
H 2.992542 1.243536 0.681278
H 2.644072 4.525547 1.209548
H 0.887406 4.864223 1.325092
H 1.478372 3.182512 1.480002
H 2.654755 5.725588 -1.146122
H 1.559906 5.089110 -2.418846
H 0.887156 6.005803 -1.029290
H 0.277507 -0.864380 -2.036414
H 2.329407 -4.238164 0.711870
H 2.666475 -3.328166 -0.804309
H -4.328887 -0.584551 2.601844
H 4.933510 -2.645050 0.074119
H 4.633577 -3.530576 1.603739
H 4.796965 -4.425939 0.063049
H -3.270887 -4.171893 -1.226052
H -4.593359 -4.285161 -0.051678


