%chk=000188909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188909

0 1
S 5.686478 0.487299 -0.029531
O -0.649537 -1.794572 -0.980463
O -1.565366 2.474414 0.744646
O 6.653044 0.324558 -1.152310
O -4.898483 0.800286 0.232360
N -3.539360 1.071720 0.054571
C 1.559918 0.872918 -0.113073
C 3.044453 1.051679 0.272133
C 1.117632 -0.589785 -0.001457
C 0.664761 1.729086 0.792663
C 3.988141 0.478265 -0.783538
C -0.344141 -0.783793 -0.367767
C -0.807816 1.525919 0.518811
C -1.300181 0.245438 0.041108
C 4.068135 1.311373 -2.048794
C -2.685090 0.008206 -0.051352
C 5.594657 -1.134915 0.825715
C -3.284960 -1.347648 -0.286674
C -3.397962 -2.116399 1.041829
C 6.823405 -1.258486 1.701661
C -3.942015 -3.523617 0.818492
C -5.668712 1.217641 -0.961488
C -7.075445 0.820727 -0.565512
H 1.423027 1.210688 -1.172150
H 3.251609 2.133508 0.413199
H 3.222234 0.584577 1.260970
H 1.739756 -1.236610 -0.655899
H 1.272662 -0.977785 1.024946
H 0.850675 1.504379 1.864062
H 0.906334 2.807694 0.681355
H 3.688987 -0.561005 -1.048904
H 4.244815 2.375152 -1.848339
H 3.145879 1.239489 -2.638654
H 4.894326 0.971230 -2.699400
H 4.667644 -1.191775 1.418235
H 5.556789 -1.961418 0.092499
H -4.284154 -1.275694 -0.763385
H -2.648449 -1.931921 -1.004208
H -4.055504 -1.561106 1.740320
H -2.400250 -2.173257 1.523215
H -3.274777 2.009157 0.439058
H 6.839866 -2.223005 2.227352
H 6.877874 -0.473036 2.465588
H 7.750767 -1.205753 1.109074
H -3.289200 -4.105749 0.154748
H -4.016051 -4.072355 1.764669
H -4.940331 -3.509945 0.367488
H -5.544106 2.304356 -1.099732
H -5.291387 0.676711 -1.843996
H -7.157186 -0.261053 -0.390253
H -7.385934 1.316342 0.365874
H -7.797871 1.091672 -1.345561


%chk=000188909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188909

0 1
S 5.631661 0.686587 0.894363
O -0.770060 -2.366768 0.161942
O -1.922191 2.332213 0.397053
O 6.325094 1.832174 -0.118468
O -5.101425 0.574394 -0.377142
N -3.688666 0.766023 -0.166190
C 1.374611 0.668743 0.180452
C 2.820041 1.037591 0.609920
C 0.965216 -0.751929 0.615785
C 0.365345 1.667606 0.784597
C 3.914807 0.184249 -0.053063
C -0.492554 -1.126657 0.296415
C -1.074865 1.326273 0.443581
C -1.483559 -0.038973 0.195647
C 4.158757 0.454253 -1.533944
C -2.884106 -0.309912 -0.127944
C 6.622509 -0.947413 0.466202
C -3.475977 -1.675714 -0.380881
C -3.905090 -2.375193 0.945167
C 8.115332 -0.628607 0.528883
C -4.509215 -3.766945 0.669169
C -5.689708 1.832160 -0.927893
C -7.184257 1.561889 -1.076954
H 1.301026 0.733845 -0.924575
H 3.005734 2.103507 0.365171
H 2.888950 0.944454 1.713914
H 1.591737 -1.534142 0.152275
H 1.098552 -0.849108 1.715480
H 0.469724 1.675108 1.890902
H 0.551919 2.701392 0.442955
H 3.816337 -0.883982 0.208972
H 3.223805 0.741235 -2.047034
H 4.583414 -0.418737 -2.058806
H 4.881430 1.298241 -1.623409
H 6.284100 -1.696902 1.202268
H 6.297179 -1.227844 -0.549020
H -4.363440 -1.564012 -1.028699
H -2.720864 -2.309745 -0.868719
H -4.639727 -1.739221 1.475598
H -3.015563 -2.478685 1.592295
H -3.183567 1.732457 0.084528
H 8.705328 -1.476420 0.134934
H 8.451557 -0.422963 1.560598
H 8.326900 0.262734 -0.089859
H -3.769562 -4.421778 0.173162
H -4.819527 -4.257061 1.610070
H -5.398230 -3.695874 0.014287
H -5.491724 2.660727 -0.219413
H -5.207589 2.057872 -1.898346
H -7.366518 0.722032 -1.768626
H -7.639839 1.320308 -0.101802
H -7.683641 2.460322 -1.481595


