%chk=000184132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184132

0 1
S -3.719195 -1.039166 0.072498
O -5.284326 -0.397152 0.039797
O -3.555855 -1.672566 1.329130
O -3.597335 -1.696683 -1.184823
N -0.917937 1.890677 0.051795
N -0.789246 -0.415766 0.038847
N -3.017489 0.535484 0.058504
N 4.201411 -0.290074 -0.055238
C 0.453664 1.547368 0.025233
C 0.505594 0.121174 0.015214
C 1.766277 -0.549174 -0.012487
C -1.623687 0.663526 0.058063
C 1.627533 2.348823 0.010347
C 2.933551 0.269129 -0.028134
C 2.837690 1.713053 -0.016098
C -1.486957 3.239416 0.067357
C 1.916630 -1.963110 -0.024852
C 3.183659 -2.501170 -0.051743
C 4.307942 -1.621399 -0.066333
H 1.548208 3.432801 0.020045
H 3.776098 2.272735 -0.028957
H -2.038642 3.426970 1.007341
H -0.687824 4.000705 -0.006917
H -2.169453 3.391462 -0.789430
H -3.582802 1.379163 0.198339
H 1.019240 -2.587883 -0.012604
H 3.344175 -3.576408 -0.061931
H 5.325426 -2.032429 -0.087766
H -5.830151 -0.662709 -0.719098


%chk=000184132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184132

0 1
S -3.778953 -0.699225 0.768835
O -4.520367 1.078778 0.224810
O -2.401371 -0.282791 1.567605
O -4.966409 -1.312125 1.707551
N -1.067401 1.449460 -0.474286
N -0.428440 -0.669904 -1.267596
N -2.694465 -0.003928 -1.708163
N 4.104611 -0.178347 0.702302
C 0.217537 1.239742 -0.088477
C 0.585102 -0.091013 -0.596807
C 1.910422 -0.616618 -0.344665
C -1.509919 0.243296 -1.204226
C 1.134381 2.050081 0.643512
C 2.818691 0.215881 0.399572
C 2.403287 1.529942 0.873915
C -1.916347 2.608176 -0.175672
C 2.351952 -1.893123 -0.777108
C 3.663463 -2.291850 -0.462573
C 4.499173 -1.405386 0.273623
H 0.854073 3.038195 1.018464
H 3.154425 2.095271 1.434536
H -2.932808 2.255349 0.101243
H -1.491511 3.160139 0.676748
H -1.979841 3.277573 -1.052648
H -3.421321 0.726849 -1.527954
H 1.667596 -2.537162 -1.337519
H 4.046918 -3.268210 -0.772754
H 5.524929 -1.692948 0.529764
H -5.381208 1.200694 0.714069


