%chk=000220445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220445

0 1
S -0.602814 1.347182 1.153033
N 1.542075 -0.041693 -0.019997
N 1.570597 2.320659 0.067114
C -0.429082 -1.688294 -0.365443
C -1.907338 0.804451 -0.067068
C -1.451445 -1.529900 0.778810
C -0.832155 -0.915742 -1.636003
C 1.067714 -1.433886 0.043443
C -2.519531 -0.461145 0.530573
C -1.294189 0.535877 -1.439719
C -2.889116 1.967356 -0.093036
C 1.361132 -1.979512 1.457290
C 1.970722 -2.183531 -0.971512
C 1.000286 1.056760 0.331851
C 3.018406 2.376851 -0.257405
H -0.460073 -2.776394 -0.646871
H -1.952651 -2.502226 0.949357
H -0.931663 -1.304241 1.736499
H 0.015340 -0.925285 -2.352394
H -1.649814 -1.480904 -2.127653
H -3.294925 -0.849819 -0.160714
H -3.050002 -0.238948 1.477363
H -0.462345 1.238113 -1.654612
H -2.043861 0.770272 -2.225558
H -3.769350 1.734233 -0.705352
H -3.257972 2.229035 0.907994
H -2.434855 2.877831 -0.508380
H 2.412644 -1.824412 1.726227
H 1.155090 -3.050802 1.523479
H 0.754335 -1.468988 2.218482
H 3.030756 -1.997211 -0.757788
H 1.793457 -1.834671 -1.995129
H 1.806482 -3.262255 -0.937506
H 1.271006 3.078854 0.687793
H 3.668173 2.127690 0.596324
H 3.263483 3.387230 -0.618927
H 3.249381 1.658065 -1.066566


%chk=000220445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220445

0 1
S -0.580918 1.354794 1.279235
N 1.552800 -0.003922 -0.151654
N 1.734507 2.291191 0.268288
C -0.417974 -1.707661 -0.383421
C -1.932340 0.798086 -0.037859
C -1.515193 -1.608351 0.734965
C -0.868290 -0.937194 -1.658968
C 1.093608 -1.403751 0.026148
C -2.568596 -0.501838 0.491858
C -1.303167 0.539835 -1.431323
C -2.937041 1.965942 -0.077122
C 1.397185 -1.843193 1.487444
C 2.002824 -2.241315 -0.919720
C 1.056785 1.081004 0.341856
C 3.097306 2.383984 -0.262046
H -0.375131 -2.777226 -0.673981
H -2.039910 -2.579579 0.821167
H -1.048483 -1.418449 1.714733
H -0.069178 -0.966768 -2.422470
H -1.727626 -1.489248 -2.089191
H -3.316283 -0.833871 -0.259843
H -3.123395 -0.303004 1.429004
H -0.464092 1.234604 -1.605624
H -2.076588 0.797157 -2.184648
H -3.822766 1.676005 -0.677161
H -3.284589 2.236998 0.935952
H -2.485225 2.863567 -0.534971
H 2.488606 -1.822579 1.657580
H 1.033940 -2.871680 1.671156
H 0.927464 -1.163952 2.219588
H 3.061273 -1.994802 -0.729410
H 1.792299 -2.014241 -1.980061
H 1.852430 -3.324136 -0.753280
H 1.215949 3.131258 0.520972
H 3.740699 1.623882 0.215412
H 3.499671 3.389532 -0.051160
H 3.127336 2.199518 -1.353448


