%chk=000234861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234861

0 1
S 2.922703 2.110479 0.000651
O -2.154512 -1.322995 -0.000029
N 1.806807 -0.297368 -0.000464
N 0.252355 1.617704 -0.000103
N -0.893922 0.856769 -0.000367
C 3.986853 0.724683 0.000321
C 3.215559 -0.473128 -0.000271
C -3.300309 0.718254 -0.000257
C 1.480824 0.974716 -0.000045
C 5.374599 0.697245 0.000557
C 3.861353 -1.718159 -0.000625
C -3.369140 -0.703542 -0.000142
C 6.005879 -0.550423 0.000200
C 5.255919 -1.739108 -0.000383
C -4.512369 1.430145 -0.000399
C -4.607476 -1.372263 -0.000158
C -2.044878 1.478728 -0.000233
C -5.741748 0.771403 -0.000419
C -5.784467 -0.628222 -0.000295
C -2.111991 -2.772235 0.000225
H 5.957752 1.616424 0.001007
H 3.273747 -2.634920 -0.001080
H 7.093179 -0.603479 0.000376
H 5.777015 -2.696949 -0.000652
H -4.492766 2.520903 -0.000503
H -4.651678 -2.456496 -0.000073
H -2.175308 2.573561 0.000213
H 0.234999 2.644450 0.000343
H -6.665449 1.344041 -0.000527
H -6.746900 -1.140606 -0.000302
H -2.570807 -3.169867 -0.907868
H -2.571030 -3.169586 0.908327
H -1.023594 -2.942758 0.000377


%chk=000234861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234861

0 1
S 2.976043 2.265016 0.000183
O -2.356724 -1.614172 -0.000110
N 1.975373 -0.270971 -0.000093
N 0.306481 1.489305 0.000004
N -0.796113 0.647937 -0.000094
C 4.115514 0.846825 0.000094
C 3.378951 -0.386688 -0.000048
C -3.272725 0.608005 -0.000147
C 1.592404 0.982717 0.000010
C 5.521085 0.870859 0.000151
C 4.086698 -1.611574 -0.000132
C -3.492561 -0.813133 -0.000162
C 6.209564 -0.365888 0.000065
C 5.496747 -1.592969 -0.000075
C -4.419323 1.453747 -0.000189
C -4.813420 -1.329005 -0.000229
C -1.966939 1.263968 -0.000082
C -5.730619 0.941881 -0.000255
C -5.923904 -0.457778 -0.000277
C -2.527708 -3.070615 -0.000070
H 6.075777 1.814170 0.000260
H 3.522391 -2.548615 -0.000241
H 7.304737 -0.369791 0.000108
H 6.049288 -2.538713 -0.000140
H -4.262667 2.540047 -0.000172
H -4.981444 -2.409670 -0.000246
H -2.021020 2.375662 0.000009
H 0.191629 2.514985 0.000078
H -6.588059 1.621924 -0.000291
H -6.936500 -0.875803 -0.000330
H -3.064446 -3.413561 -0.905896
H -3.064559 -3.413499 0.905714
H -1.502753 -3.467203 0.000006


