%chk=000211715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211715

0 1
S 2.209223 1.358955 1.269913
S -0.505416 2.578687 1.532997
O 0.789888 -2.001804 0.003533
N 0.035262 0.085192 0.676723
C 2.447544 -0.357142 0.698106
C 3.337465 -0.394603 -0.538848
C 1.059914 -0.900677 0.403525
C 4.801121 -0.070209 -0.209445
C -1.376750 -0.225661 0.459526
C 0.436268 1.332392 1.144054
C 5.685117 -0.199244 -1.446994
C -2.065283 0.415379 -0.575963
C -1.996525 -1.169027 1.290459
C -3.420463 0.109260 -0.781716
C -3.343621 -1.466318 1.067674
C -4.053492 -0.834464 0.043502
C -4.170967 0.792994 -1.876670
H 2.902267 -0.955588 1.529544
H 2.962364 0.302231 -1.317343
H 3.274851 -1.408152 -0.997733
H 5.173194 -0.746071 0.586083
H 4.884649 0.957447 0.199031
H 5.665485 -1.215052 -1.859184
H 5.370998 0.484698 -2.244563
H 6.730089 0.035914 -1.211211
H -1.565990 1.148669 -1.207031
H -1.443613 -1.662760 2.086242
H -3.843860 -2.198539 1.701901
H -5.103014 -1.075943 -0.113318
H -4.195220 1.882220 -1.719910
H -3.701105 0.617396 -2.855440
H -5.212979 0.456821 -1.955144


%chk=000211715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211715

0 1
S 2.251798 1.430799 1.371798
S -0.554287 2.666496 1.602201
O 0.797677 -2.037464 0.077862
N 0.032368 0.105159 0.723510
C 2.453823 -0.354768 0.744029
C 3.342819 -0.447118 -0.515411
C 1.038117 -0.876192 0.482008
C 4.815734 -0.069236 -0.246899
C -1.367329 -0.219299 0.487517
C 0.434435 1.369674 1.201088
C 5.686364 -0.196518 -1.514635
C -2.060208 0.426773 -0.555083
C -1.995656 -1.189181 1.296679
C -3.420127 0.118440 -0.807029
C -3.347135 -1.505066 1.046228
C -4.051865 -0.855315 0.007234
C -4.172628 0.821967 -1.922617
H 2.898491 -0.942334 1.567563
H 2.922538 0.202021 -1.307740
H 3.283990 -1.491443 -0.881722
H 5.221381 -0.723556 0.551506
H 4.869083 0.969695 0.136080
H 5.669653 -1.230375 -1.907211
H 5.322947 0.473987 -2.315404
H 6.738154 0.068143 -1.304605
H -1.544603 1.176800 -1.164713
H -1.438685 -1.685196 2.097089
H -3.851665 -2.256641 1.662493
H -5.103290 -1.106589 -0.175065
H -4.215283 1.913351 -1.748706
H -3.680170 0.666819 -2.900641
H -5.209041 0.453170 -2.005105


