%chk=000218323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218323

0 1
S 1.591222 2.250395 1.247407
S -3.099597 0.589889 0.343104
O 3.574326 -2.402369 0.466412
O 0.613141 -1.148081 -1.049613
N 1.568836 -2.779666 1.584841
N -0.275511 -3.266767 -0.816932
N 2.713791 -0.675172 1.743020
N -1.608018 -1.460724 -1.652636
N -0.395319 3.972572 0.877873
N -5.333192 1.912429 0.802342
N 0.884274 3.290156 -1.091156
N -3.464818 3.203243 -0.079849
C 1.400149 -4.060739 0.856561
C 1.068762 -3.875173 -0.640542
C 3.487422 0.371635 1.030200
C -1.732683 -0.010312 -1.948575
C 2.669382 -1.963977 1.160596
C -0.345686 -1.901553 -1.160283
C 2.606719 1.231717 0.131293
C -1.663743 0.886037 -0.719187
C 0.583967 3.255334 0.158554
C -4.041978 2.113310 0.297343
H 2.354354 -4.637791 0.938447
H 0.610182 -4.644988 1.375024
H 1.857763 -3.224305 -1.106675
H 1.112069 -4.852618 -1.164207
H 0.681823 -2.298669 1.745950
H -1.015146 -3.903525 -1.096485
H 4.284145 -0.121192 0.412189
H 4.023247 0.979799 1.797128
H -2.679227 0.137955 -2.516007
H -0.892769 0.271472 -2.638144
H 1.899412 -0.332880 2.251975
H -2.453481 -1.891483 -1.278947
H 1.956273 0.617737 -0.535402
H 3.200684 1.879458 -0.543975
H -1.593925 1.954653 -1.018957
H -0.740887 0.681997 -0.126571
H -0.610991 3.665971 1.819546
H -1.244533 4.212385 0.368867
H -5.710529 0.979181 0.878282
H -6.030625 2.628561 0.666578
H 0.357165 3.868777 -1.738082
H -3.982952 4.077422 -0.111508


%chk=000218323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218323

0 1
S 2.171545 2.791965 1.845187
S -4.083304 0.672363 -0.217424
O 4.101692 -2.141965 0.796180
O -0.079083 -1.592590 -2.408864
N 1.778219 -2.295133 1.106284
N -0.388672 -3.224548 -0.749123
N 2.899930 -0.299103 1.605786
N -2.186948 -1.854998 -1.436463
N -0.427565 2.699609 1.120262
N -5.344951 2.901238 0.580344
N 1.176451 2.249852 -0.666200
N -3.012162 3.194243 -0.021144
C 1.702230 -3.653317 0.572400
C 1.000716 -3.715803 -0.804773
C 4.026251 0.634881 1.587764
C -2.746140 -0.768091 -2.244727
C 3.000962 -1.603768 1.141961
C -0.831515 -2.192421 -1.580527
C 3.632647 1.978470 0.947958
C -2.729433 0.609159 -1.555272
C 0.822790 2.534098 0.552283
C -4.100035 2.478930 0.139117
H 2.742140 -4.009537 0.465196
H 1.185283 -4.321210 1.293247
H 1.530530 -3.074845 -1.528612
H 1.025013 -4.758201 -1.183234
H 0.904086 -1.771145 1.176843
H -1.067783 -3.767020 -0.211492
H 4.832923 0.160225 0.999352
H 4.417643 0.798224 2.612869
H -3.770180 -1.028556 -2.571604
H -2.107146 -0.690341 -3.142707
H 2.003219 0.086709 1.912232
H -2.755733 -2.267827 -0.696524
H 3.262679 1.863019 -0.089130
H 4.464459 2.700104 0.984312
H -2.956193 1.419674 -2.266767
H -1.760414 0.799603 -1.071654
H -0.498222 2.841851 2.128297
H -1.300722 2.797603 0.553327
H -6.159866 2.295120 0.500654
H -5.464309 3.829110 0.984401
H 0.415854 2.057640 -1.341268
H -3.143388 4.216830 0.101054


