%chk=000237282.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237282

0 1
S -3.113286 0.582795 0.874995
O 3.482165 0.137278 -1.374678
O 4.802052 -2.400036 -0.057024
O 4.448897 0.471990 1.832960
O 5.010691 2.813791 0.599566
N 1.653704 -0.573098 -0.058549
N 0.144297 0.546645 1.278520
N 0.022285 -1.568849 -1.688042
N -2.288604 -0.959311 -1.168188
C 2.937091 -0.979555 -0.658153
C 3.964632 -1.363158 0.447730
C 4.866795 -0.112195 0.598682
C 4.554163 0.777510 -0.633018
C -4.719866 0.187881 0.092939
C -5.004459 1.107009 -1.097686
C -5.800883 0.463458 1.145843
C -6.523914 1.356020 -1.062950
C -6.999195 1.052857 0.372772
C 4.074284 2.196950 -0.295866
C 0.383247 -0.812766 -0.604840
C -0.553714 -0.112086 0.249292
C 1.434939 0.278752 1.083119
C -1.917572 -0.225080 -0.094440
C -1.316098 -1.596353 -1.912029
H 2.771844 -1.760041 -1.445010
H 3.502594 -1.656960 1.414834
H 5.942257 -0.383359 0.667621
H 5.401160 0.785556 -1.354188
H -4.725734 -0.880428 -0.224265
H -4.681050 0.645451 -2.047366
H -4.457121 2.064836 -1.022013
H -5.467230 1.177346 1.923095
H -6.079606 -0.458665 1.684352
H -7.041056 0.703751 -1.787706
H -6.762198 2.392214 -1.353130
H -7.367213 1.967677 0.866882
H -7.844627 0.344578 0.361904
H 3.126659 2.192436 0.280766
H 3.936785 2.807926 -1.204040
H 2.274468 0.615376 1.696224
H 4.473697 -3.280075 0.232133
H 4.870054 1.372850 1.950642
H 5.812563 3.105504 0.119064
H -1.671797 -2.185321 -2.773556


%chk=000237282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237282

0 1
S -3.230703 0.681459 1.200497
O 3.426647 0.300447 -1.338247
O 4.731958 -2.365118 -0.313522
O 4.419937 0.539387 1.811047
O 5.695581 2.605585 0.560675
N 1.573849 -0.400544 0.074890
N 0.100748 0.634335 1.507904
N -0.042895 -1.351432 -1.545814
N -2.360357 -0.795089 -0.971120
C 2.810879 -0.814645 -0.600589
C 3.909825 -1.355539 0.359194
C 4.855034 -0.160990 0.602261
C 4.709750 0.695845 -0.690700
C -4.820545 0.291759 0.235012
C -5.074257 1.231433 -0.961519
C -6.054713 0.488600 1.146947
C -6.584569 1.009556 -1.248802
C -7.237633 0.708464 0.146516
C 4.646326 2.211468 -0.411029
C 0.291926 -0.638408 -0.437717
C -0.608496 0.010072 0.462312
C 1.392394 0.373776 1.242904
C -1.988482 -0.094122 0.142126
C -1.393235 -1.382927 -1.743589
H 2.498093 -1.562201 -1.352370
H 3.485880 -1.732343 1.308800
H 5.887004 -0.538748 0.719996
H 5.521274 0.443549 -1.399909
H -4.714543 -0.750293 -0.110689
H -4.422206 0.995915 -1.818283
H -4.884513 2.278696 -0.657700
H -5.916751 1.386407 1.779121
H -6.214547 -0.369848 1.821562
H -6.715419 0.144543 -1.924909
H -7.042100 1.883511 -1.745082
H -7.878001 1.543849 0.480850
H -7.880079 -0.188253 0.091617
H 3.692378 2.455552 0.079061
H 4.729474 2.795077 -1.345179
H 2.246960 0.689092 1.841298
H 4.184963 -3.166043 -0.513617
H 4.983363 1.363180 1.876956
H 6.573079 2.684253 0.112765
H -1.747180 -1.938166 -2.616728


