%chk=000180092.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180092

0 1
S -3.514988 -2.184675 0.325262
O -3.981960 0.388036 -0.400930
O 2.285242 -3.329279 0.188424
N 1.411288 -0.564522 0.738737
N -2.013319 2.619949 -0.728193
N 0.443906 -3.359899 -1.161603
C 0.052173 -0.295808 0.438999
C -0.294747 1.026761 0.002971
C -0.922843 -1.292156 0.574369
C 0.706034 2.059854 -0.124938
C -1.646743 1.346054 -0.309159
C 2.091702 1.721332 0.186799
C -0.575153 -2.670036 1.055627
C 2.409548 0.402947 0.607458
C -2.259173 -0.960594 0.256128
C -2.632999 0.307336 -0.176855
C -0.491055 -3.720267 -0.067785
C 0.306725 3.317127 -0.541161
C 3.141956 2.658412 0.085329
C 3.752256 0.040648 0.899303
C -1.067556 3.551173 -0.831616
C 4.450942 2.306022 0.379067
C 4.751789 0.990470 0.785509
C -4.678966 -1.555193 1.561089
C -4.547551 1.569194 -1.028108
C 1.806868 -3.189604 -0.933121
C 2.628184 -2.835389 -2.139588
H -1.330619 -3.011073 1.800529
H 0.388178 -2.672821 1.616643
H 1.667961 -1.522631 1.035999
H -0.155967 -4.687657 0.377877
H -1.495489 -3.892543 -0.516807
H 1.017428 4.131755 -0.650442
H 2.912742 3.678301 -0.231144
H 3.983822 -0.979247 1.206331
H -1.392530 4.546583 -1.161852
H 5.249290 3.039129 0.298458
H 5.785219 0.723002 1.010986
H 0.018133 -3.051639 -2.029994
H -5.075433 -0.572209 1.268281
H -4.214111 -1.467544 2.547311
H -5.512444 -2.264876 1.620558
H -4.460025 2.427951 -0.354941
H -5.589498 1.257836 -1.164146
H -4.058129 1.769356 -1.985397
H 3.701443 -2.931352 -1.904505
H 2.428763 -3.481819 -3.003265
H 2.465206 -1.793394 -2.450294


%chk=000180092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180092

0 1
S -3.555127 -2.217947 0.428986
O -4.029054 0.663802 -0.243015
O 2.380325 -3.144499 0.038611
N 1.436068 -0.499219 0.669978
N -2.086784 2.755710 -0.415264
N 0.404785 -3.433302 -1.138422
C 0.073397 -0.222943 0.472100
C -0.291508 1.128257 0.136139
C -0.912176 -1.231991 0.621251
C 0.700052 2.173848 0.064869
C -1.677370 1.459274 -0.114232
C 2.109142 1.829169 0.311814
C -0.536126 -2.616138 1.123639
C 2.439800 0.463984 0.593394
C -2.277004 -0.889999 0.342393
C -2.662245 0.412782 -0.041962
C -0.422066 -3.738430 0.048919
C 0.251569 3.476667 -0.244317
C 3.167552 2.777896 0.264842
C 3.795456 0.073013 0.788769
C -1.130297 3.707070 -0.469182
C 4.504353 2.397566 0.473076
C 4.815861 1.034461 0.729557
C -4.762935 -1.512625 1.702744
C -4.426557 1.255617 -1.539559
C 1.758985 -3.212397 -1.081231
C 2.482992 -3.028781 -2.407598
H -1.329855 -2.961929 1.812805
H 0.401846 -2.584742 1.703054
H 1.742385 -1.482162 0.753529
H -0.006078 -4.637087 0.543461
H -1.433464 -3.984643 -0.318305
H 0.945154 4.318204 -0.314117
H 2.939792 3.828737 0.059472
H 4.023223 -0.981951 0.978187
H -1.480060 4.720161 -0.703888
H 5.302063 3.146291 0.434339
H 5.856837 0.729857 0.884054
H -0.054927 -3.413012 -2.049721
H -5.126981 -0.545786 1.331260
H -4.256970 -1.403707 2.673680
H -5.581403 -2.246255 1.777338
H -3.964499 2.249212 -1.654110
H -5.524087 1.332371 -1.492038
H -4.132621 0.584014 -2.369334
H 3.303224 -3.764219 -2.471893
H 1.828584 -3.146025 -3.288186
H 2.942249 -2.025171 -2.433685


