%chk=000183217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183217

0 1
S -0.992303 -1.511919 1.189444
S -0.846491 0.119060 -1.923117
P -1.448384 0.065572 -0.115828
O -3.073601 -0.068070 0.161587
O -0.948755 1.464060 0.599686
C 3.289581 -1.366431 0.660502
C 3.666490 -1.710045 -0.800851
C 3.845985 0.021657 1.059364
C 3.239251 -0.604968 -1.774606
C 3.414340 1.113563 0.072007
C 3.815991 0.756662 -1.365632
C 1.851740 -1.408801 0.837524
C 0.651498 -1.434102 0.981630
C -3.972715 0.468862 -0.863501
C -1.284977 1.767689 1.978554
C -5.345619 0.220666 -0.267056
C -2.736667 2.182315 2.123872
H 3.747795 -2.140608 1.336416
H 3.200661 -2.670094 -1.093541
H 4.760852 -1.861983 -0.860209
H 4.950707 -0.035547 1.095367
H 3.513391 0.281759 2.081292
H 2.129996 -0.543446 -1.808879
H 3.559328 -0.862095 -2.800782
H 3.860577 2.082117 0.362383
H 2.314507 1.253639 0.123795
H 4.917712 0.746391 -1.460405
H 3.452424 1.538514 -2.059650
H -3.766226 1.544872 -1.010939
H -3.822764 -0.090731 -1.807970
H -1.010553 0.929227 2.644676
H -0.591951 2.617688 2.159999
H -6.139719 0.424969 -0.994434
H -5.445127 -0.826268 0.057614
H -5.523191 0.841962 0.619309
H -2.924141 2.627281 3.108083
H -3.015981 2.926065 1.365344
H -3.428861 1.333321 2.009954


%chk=000183217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183217

0 1
S -1.033678 -1.605343 1.143920
S -1.043085 0.238310 -2.278216
P -1.600403 0.213544 -0.298389
O -3.297494 0.083435 0.084275
O -1.013664 1.635681 0.508636
C 3.382798 -1.381355 0.712807
C 3.827521 -1.738075 -0.742577
C 3.902724 0.043836 1.091189
C 3.362700 -0.670701 -1.760797
C 3.432086 1.109536 0.073457
C 3.861662 0.741175 -1.367770
C 1.918543 -1.476755 0.873857
C 0.685838 -1.534913 0.998201
C -4.315936 0.450183 -0.949368
C -1.156163 1.827169 1.985285
C -5.663246 0.011755 -0.384166
C -2.523484 2.402225 2.361353
H 3.838404 -2.116865 1.409117
H 3.436386 -2.734602 -1.019648
H 4.935096 -1.801002 -0.750419
H 5.011317 0.007350 1.102221
H 3.569287 0.305529 2.112911
H 2.255874 -0.667630 -1.811139
H 3.728368 -0.937866 -2.771002
H 3.842604 2.098800 0.354246
H 2.327582 1.195213 0.115447
H 4.969679 0.772443 -1.438198
H 3.471546 1.491553 -2.081415
H -4.271705 1.542432 -1.119432
H -4.071345 -0.069679 -1.894474
H -0.959192 0.865145 2.496530
H -0.337114 2.529946 2.212800
H -6.464825 0.258222 -1.105089
H -5.675221 -1.076418 -0.204961
H -5.879666 0.527207 0.566984
H -2.537473 2.639186 3.442166
H -2.721848 3.333866 1.803582
H -3.329672 1.680267 2.149080


