%chk=000229206.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229206

0 1
S -0.357711 2.837653 0.364524
S -2.690163 -1.529822 1.264489
O -0.104190 4.086770 -0.332157
O -0.734550 2.871263 1.752674
O 3.621820 -2.669472 0.758607
N -1.696411 2.211001 -0.573538
N 4.164011 -0.875527 -0.591663
N -2.051663 0.945304 -0.240008
C 0.927337 1.743541 0.098167
C 0.954294 0.500495 0.746070
C 1.968574 2.095378 -0.773038
C 3.053784 -0.025305 -0.331939
C 2.009164 -0.384848 0.538961
C 3.031227 1.227719 -0.993943
C -3.122323 0.355857 -0.715080
C -3.318547 -1.022285 -0.284045
C -4.136976 0.957124 -1.640420
C -3.937580 -2.069153 -0.907831
C 4.390655 -2.164749 -0.027706
C -3.908237 -3.285361 -0.132336
C -3.270888 -3.153406 1.064754
C 5.659415 -2.808341 -0.506975
H 0.138587 0.215417 1.423881
H 1.947698 3.068100 -1.282509
H 2.018827 -1.355006 1.050479
H 3.831909 1.516969 -1.669101
H -2.305217 2.819051 -1.137205
H 4.859619 -0.510022 -1.247972
H -4.458133 1.952925 -1.303141
H -5.049279 0.347345 -1.707457
H -3.735881 1.054866 -2.659448
H -4.402142 -2.025602 -1.882139
H -4.358392 -4.198566 -0.497078
H -3.112200 -3.900786 1.822400
H 5.669508 -2.970973 -1.593437
H 5.773404 -3.802073 -0.037695
H 6.555252 -2.230782 -0.240344


%chk=000229206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229206

0 1
S -0.384177 2.666224 0.331397
S -2.584921 -2.010206 0.749261
O -0.115413 4.129052 -0.332474
O -0.898550 2.492972 1.864821
O 4.310072 -2.526701 1.025525
N -1.657731 1.866653 -0.948611
N 4.520562 -0.796336 -0.549551
N -2.130272 0.672813 -0.483165
C 1.105162 1.572523 0.069015
C 1.263540 0.440685 0.883855
C 2.023261 1.942596 -0.927988
C 3.351858 -0.028685 -0.303063
C 2.400336 -0.372017 0.698344
C 3.156840 1.131363 -1.106995
C -3.325208 0.213096 -0.851356
C -3.704358 -1.101773 -0.356975
C -4.242928 0.990199 -1.778155
C -4.867119 -1.842438 -0.591837
C 4.949599 -1.969276 0.088709
C -4.900467 -3.110862 0.084985
C -3.763109 -3.356364 0.840917
C 6.265129 -2.534012 -0.440659
H 0.521879 0.203237 1.652433
H 1.860968 2.844304 -1.526301
H 2.562627 -1.261975 1.307839
H 3.894484 1.399173 -1.873453
H -2.336134 2.638355 -1.155054
H 5.127058 -0.443955 -1.293403
H -4.439953 2.006238 -1.378068
H -5.215410 0.495808 -1.909383
H -3.777433 1.111852 -2.774786
H -5.680830 -1.494170 -1.232145
H -5.734937 -3.812138 0.011891
H -3.523284 -4.227513 1.448544
H 6.724734 -1.931980 -1.243579
H 6.088689 -3.555515 -0.819436
H 6.980034 -2.616525 0.395701


