%chk=000236062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236062

0 1
S 0.051832 -0.573991 1.239752
O -3.109417 -0.790601 -0.994975
O -1.949046 1.021710 -0.289459
O 1.600345 -2.191509 -0.987166
O 3.727321 -1.795619 -0.983377
N 1.273142 1.735981 0.358028
N 2.999145 1.014146 -0.935461
N 2.573925 -1.457424 -0.848741
C 1.191642 0.351627 0.330061
C 2.265310 -0.075462 -0.478621
C 2.389200 2.107960 -0.421233
C 0.339591 2.637459 1.036698
C -1.036891 -1.227753 -0.034363
C -2.027336 -0.179151 -0.419371
C -4.219430 0.047413 -1.458824
C -5.068094 0.470695 -0.279738
H 2.702720 3.131061 -0.578475
H -0.457931 -1.595731 -0.924696
H -1.528598 -2.148776 0.356891
H 0.496708 3.683167 0.724668
H -0.715512 2.361121 0.782996
H 0.448577 2.575603 2.135183
H -3.802655 0.903874 -2.017379
H -4.733390 -0.656812 -2.139526
H -5.987260 0.971878 -0.607317
H -5.360603 -0.389115 0.337514
H -4.525896 1.170251 0.373430


%chk=000236062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236062

0 1
S 0.169831 -0.541759 1.478185
O -3.129047 -0.863356 -0.869585
O -1.914042 1.032967 -0.258552
O 1.574620 -2.272494 -0.849729
O 3.620347 -1.611082 -1.630793
N 1.364373 1.755788 0.409233
N 2.880764 1.071093 -1.141549
N 2.492798 -1.369392 -1.065104
C 1.244051 0.361549 0.347073
C 2.202275 -0.022757 -0.620141
C 2.353574 2.129157 -0.499703
C 0.538066 2.661759 1.226227
C -1.090796 -1.251367 0.271537
C -2.053669 -0.212209 -0.281260
C -4.170999 -0.005346 -1.527365
C -5.240325 0.407721 -0.514090
H 2.641213 3.165384 -0.660016
H -0.515089 -1.736575 -0.536884
H -1.635894 -2.035423 0.821090
H 0.767937 3.699091 0.935626
H -0.524149 2.443301 1.031057
H 0.753408 2.529712 2.299141
H -3.669708 0.872120 -1.971568
H -4.574258 -0.656911 -2.318275
H -6.040960 0.969710 -1.029602
H -5.694068 -0.476997 -0.035751
H -4.812853 1.058318 0.267297


