%chk=000198551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198551

0 1
S 3.253401 0.959351 1.989327
O -4.441144 0.751046 -0.337351
N 4.302450 -0.690249 0.024577
N 6.272903 -2.644836 -0.712007
N 2.667900 1.009069 -0.555658
C 4.573047 -0.983864 -1.420873
C 5.490257 -0.928005 0.901286
C 5.059280 -2.438487 -1.560581
C 5.956931 -2.388839 0.726059
C 3.478631 0.383595 0.301301
C 1.834536 1.942532 0.105845
C 0.862211 2.713653 -0.732386
C 2.014467 2.056669 1.454924
C -0.532289 2.162455 -0.597780
C -1.564331 2.959248 -0.078827
C -0.800829 0.844805 -1.007288
C -2.859448 2.451703 0.037901
C -2.088108 0.318711 -0.904604
C -3.096560 1.136346 -0.380504
C -4.774198 -0.537984 0.071596
C -3.995826 -1.311769 0.938956
C -6.024510 -0.964829 -0.406726
C -4.493385 -2.557609 1.332818
C -6.495993 -2.209485 0.007587
C -5.734002 -3.008013 0.871491
H 5.333224 -0.281196 -1.830658
H 3.635405 -0.835737 -2.005609
H 5.229423 -0.758058 1.968443
H 6.320852 -0.232089 0.639140
H 4.228640 -3.136191 -1.314286
H 5.346456 -2.626051 -2.619009
H 6.887799 -2.546064 1.314569
H 5.184647 -3.077412 1.135102
H 6.607496 -3.609102 -0.821925
H 1.171297 2.677465 -1.805305
H 0.902676 3.788803 -0.455019
H 1.498373 2.696545 2.144811
H -1.360443 3.980498 0.240924
H 0.009778 0.230237 -1.406516
H -3.674531 3.052018 0.436197
H -2.307110 -0.695679 -1.230955
H -3.038376 -0.951644 1.307544
H -6.595521 -0.326478 -1.076480
H -3.906387 -3.178869 2.009213
H -7.463881 -2.564071 -0.346557
H -6.110909 -3.978540 1.184591


%chk=000198551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198551

0 1
S 3.960566 1.618189 1.831572
O -4.264671 0.603075 -0.327438
N 4.273714 -0.464748 -0.055074
N 5.297075 -3.059514 -0.541070
N 2.606692 1.218991 -0.460444
C 4.065916 -1.102385 -1.378207
C 5.445041 -0.943323 0.705092
C 4.055598 -2.634939 -1.225073
C 5.408054 -2.482425 0.814285
C 3.583204 0.680190 0.265251
C 2.069862 2.376201 0.136891
C 0.941575 3.108691 -0.562836
C 2.638926 2.755048 1.336569
C -0.416116 2.408879 -0.474317
C -1.536620 3.075684 0.080102
C -0.591856 1.088275 -0.965137
C -2.799644 2.447903 0.154393
C -1.847361 0.448946 -0.904898
C -2.946551 1.134863 -0.336667
C -4.503489 -0.761737 -0.035301
C -3.674286 -1.533514 0.813226
C -5.692724 -1.301484 -0.575889
C -4.046575 -2.864294 1.108448
C -6.052050 -2.631139 -0.268528
C -5.230615 -3.420968 0.571061
H 4.890528 -0.809372 -2.060725
H 3.114834 -0.729628 -1.788349
H 5.438344 -0.499828 1.715566
H 6.379516 -0.636820 0.190348
H 3.132760 -2.929316 -0.667388
H 4.016834 -3.096923 -2.228023
H 6.344462 -2.832218 1.285054
H 4.554249 -2.765428 1.478409
H 5.441674 -4.075794 -0.558912
H 1.227122 3.222320 -1.627209
H 0.858095 4.125760 -0.141022
H 2.395466 3.600238 1.975972
H -1.424182 4.097466 0.462375
H 0.269983 0.563586 -1.391050
H -3.669620 2.957564 0.579148
H -1.975534 -0.562651 -1.303477
H -2.765644 -1.101173 1.243174
H -6.313411 -0.672260 -1.220895
H -3.409407 -3.463168 1.769026
H -6.973842 -3.050272 -0.687077
H -5.511594 -4.452949 0.806342


