%chk=000216662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216662

0 1
O -0.785407 0.235125 0.095276
O -1.291784 -1.012128 -1.745704
N 6.998302 -0.610864 0.208865
C 4.866380 0.564985 -0.219752
C 3.368641 0.457396 -0.175328
C 5.516697 -0.781010 0.151589
C 2.647665 0.119560 -1.329887
C 2.682501 0.685167 1.031467
C 0.604252 0.245903 -0.087177
C 1.254261 0.011368 -1.299484
C 1.294862 0.579916 1.089073
C -3.049118 -0.220998 -0.275231
C -1.665444 -0.410613 -0.770421
C -4.084675 -0.880914 -0.958976
C -3.335536 0.588382 0.834266
C -5.403533 -0.728541 -0.528123
C -4.658389 0.736055 1.258432
C -5.689802 0.078879 0.579015
H 5.209091 0.895259 -1.220451
H 5.228746 1.351587 0.477576
H 5.186778 -1.568320 -0.560157
H 5.169455 -1.097338 1.161395
H 3.173359 -0.062246 -2.266962
H 3.240720 0.944518 1.931216
H 0.695173 -0.260646 -2.197182
H 0.746817 0.751725 2.012393
H 7.368615 -0.364484 -0.703714
H 7.442898 -1.481074 0.485057
H -3.848590 -1.507735 -1.823411
H -2.521936 1.097410 1.358315
H -6.209477 -1.238328 -1.054730
H -4.885338 1.363943 2.119134
H -6.721284 0.196064 0.912823


%chk=000216662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216662

0 1
O -0.800927 0.207387 0.075144
O -1.471783 -0.720411 -1.984044
N 7.083513 -0.632250 0.256720
C 4.957516 0.529930 -0.303277
C 3.440180 0.464718 -0.262439
C 5.614495 -0.757183 0.267416
C 2.697299 -0.085613 -1.336211
C 2.724726 0.909459 0.880876
C 0.611285 0.249082 -0.140303
C 1.289047 -0.201771 -1.297313
C 1.321997 0.805317 0.947333
C -3.129102 -0.167838 -0.285422
C -1.751032 -0.270797 -0.847378
C -4.205370 -0.601888 -1.104065
C -3.390445 0.338743 1.014853
C -5.529509 -0.530111 -0.627134
C -4.717755 0.408052 1.487516
C -5.788638 -0.025020 0.669649
H 5.305732 0.669587 -1.346361
H 5.338286 1.385274 0.283824
H 5.222310 -1.634579 -0.302233
H 5.286759 -0.888000 1.316005
H 3.226211 -0.428099 -2.234132
H 3.272480 1.346668 1.724255
H 0.734634 -0.622661 -2.135972
H 0.765252 1.150808 1.823755
H 7.490223 -0.538494 -0.679313
H 7.577676 -1.327447 0.823000
H -3.980184 -0.988752 -2.103371
H -2.555439 0.669944 1.637512
H -6.357333 -0.865267 -1.261098
H -4.918916 0.798489 2.490964
H -6.818290 0.030725 1.040447


