%chk=000268251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268251

0 1
S -0.933116 -0.200788 0.935686
O -1.779824 -0.125090 2.108796
O 0.031789 -1.277883 0.853690
N -1.926164 -0.242204 -0.463631
N 0.805039 -0.087100 -1.909436
C -0.115887 1.317887 0.736923
C 0.980836 1.489720 -0.114518
C 1.528218 0.365292 -0.946304
C -0.584068 2.404163 1.488772
C 1.605046 2.742647 -0.214334
C 2.892746 -0.102406 -0.565162
C -3.190100 -0.887229 -0.570446
C 0.032478 3.653027 1.389875
C 1.127884 3.820395 0.535447
C 4.023550 0.441992 -1.189448
C 3.027790 -1.104122 0.404439
C -3.955659 -1.225581 0.561150
C -3.688861 -1.152299 -1.866121
C 5.294715 -0.015106 -0.832700
C 4.303213 -1.556086 0.754901
C -5.203453 -1.824344 0.387944
C -4.940812 -1.747961 -2.012841
C 5.435020 -1.012059 0.139722
C -5.703341 -2.089245 -0.891368
H -1.438650 2.271659 2.166753
H -1.475205 -0.042419 -1.379078
H 2.461800 2.874497 -0.874724
H -0.338068 4.492683 1.977007
H 1.612620 4.794879 0.454750
H 3.914823 1.212277 -1.950351
H 2.131222 -1.532538 0.877763
H -3.596530 -1.016156 1.574606
H -3.104419 -0.894900 -2.745047
H 6.177154 0.404055 -1.313073
H 4.411339 -2.335178 1.509025
H -5.794630 -2.086529 1.265759
H -5.324986 -1.950483 -3.012139
H 1.170034 -0.846039 -2.484707
H 6.427535 -1.365543 0.415884
H -6.676076 -2.556383 -1.012565


%chk=000268251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268251

0 1
S -1.344364 -0.079760 1.239964
O -2.462223 0.246200 2.380969
O -0.409681 -1.407214 1.435337
N -2.207349 0.134611 -0.474396
N 0.470367 -0.087201 -1.384289
C -0.203939 1.457046 1.149018
C 0.993337 1.467205 0.394167
C 1.393189 0.397921 -0.579433
C -0.593835 2.509151 1.989190
C 1.826933 2.611527 0.537365
C 2.826420 -0.033521 -0.613143
C -3.293885 -0.738658 -0.752055
C 0.241221 3.645093 2.091580
C 1.453662 3.689627 1.367768
C 3.451644 -0.337753 -1.853140
C 3.559912 -0.200631 0.592035
C -4.503359 -0.614251 -0.010192
C -3.212568 -1.690126 -1.809783
C 4.781435 -0.805575 -1.886892
C 4.885378 -0.683173 0.556375
C -5.607762 -1.427655 -0.331126
C -4.337336 -2.471639 -2.146169
C 5.500390 -0.984684 -0.681128
C -5.535823 -2.350974 -1.403535
H -1.524032 2.416881 2.560562
H -1.354565 0.044021 -1.099872
H 2.764128 2.654167 -0.027148
H -0.050379 4.478364 2.739032
H 2.109083 4.563050 1.449142
H 2.906286 -0.178041 -2.791534
H 3.080196 0.017284 1.551827
H -4.550529 0.113798 0.804707
H -2.273773 -1.799754 -2.365725
H 5.259286 -1.023295 -2.848048
H 5.435620 -0.829043 1.492000
H -6.533005 -1.334382 0.248248
H -4.274297 -3.186960 -2.973954
H 0.830852 -0.848588 -1.994174
H 6.531754 -1.353023 -0.706760
H -6.403387 -2.970545 -1.655889


