%chk=000245472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245472

0 1
S 4.693921 1.949647 0.381883
O -5.609706 1.243218 -0.642500
N 5.307862 -0.571001 -0.015259
N 7.233676 0.869748 0.309181
C -2.725655 -0.696967 0.393076
C -3.317729 0.607834 -0.227923
C -1.317337 -0.974387 -0.152755
C -0.398427 0.211693 0.263522
C 1.058206 0.000342 -0.264915
C -4.790738 0.545211 0.315597
C -2.446873 1.783004 0.245337
C -0.984582 1.569132 -0.185173
C 1.587534 -1.361196 0.299453
C -3.824855 -1.751975 0.172809
C -0.761349 -2.300574 0.395316
C -5.151341 -0.971407 0.299176
C 0.672627 -2.535149 -0.088267
C 1.960998 1.152822 0.291476
C -3.375065 0.588069 -1.762967
C 1.109152 0.024187 -1.799070
C 3.036421 -1.665668 -0.144501
C -5.011813 1.178259 1.688180
C 3.390635 0.796118 0.217510
C 3.897451 -0.462265 0.032120
C 5.878179 0.613362 0.164465
H -2.631732 -0.543935 1.498892
H -1.353653 -1.035768 -1.265939
H -0.350484 0.220226 1.380894
H -2.497902 1.894104 1.343356
H -2.828258 2.731915 -0.175783
H -0.912504 1.654936 -1.289394
H -0.371378 2.394027 0.222729
H 1.590282 -1.273536 1.415375
H -3.761438 -2.566371 0.910387
H -3.736065 -2.221406 -0.821413
H -1.406236 -3.139479 0.073110
H -0.794274 -2.303112 1.501208
H -5.813895 -1.181428 -0.558058
H -5.703430 -1.270086 1.201764
H 1.064673 -3.475432 0.343423
H 0.681648 -2.679915 -1.186200
H 1.686965 1.369609 1.346805
H 1.755216 2.085712 -0.272596
H -2.377681 0.572848 -2.211519
H -3.928643 -0.279169 -2.137333
H -3.904384 1.477821 -2.133219
H 2.143069 0.028828 -2.163346
H 0.610459 -0.850001 -2.231661
H 0.616858 0.915417 -2.205210
H 3.069581 -1.988430 -1.206963
H 3.444626 -2.520321 0.434768
H -6.029322 1.013078 2.056384
H -4.326142 0.767218 2.437510
H -4.853055 2.263258 1.647086
H -6.526071 1.325326 -0.327241
H 7.568438 1.765649 -0.020303
H 7.857336 0.101160 0.076813


%chk=000245472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245472

0 1
S 4.765413 2.060106 0.327907
O -5.705359 1.441877 -0.453329
N 5.357908 -0.550234 0.054801
N 7.299326 0.848024 0.208211
C -2.762854 -0.690650 0.323091
C -3.376346 0.623888 -0.251397
C -1.338790 -0.983537 -0.196280
C -0.409710 0.225685 0.157259
C 1.075949 0.004629 -0.322975
C -4.823666 0.568857 0.361432
C -2.476317 1.804177 0.182708
C -1.012388 1.590669 -0.288913
C 1.599795 -1.338347 0.312745
C -3.872713 -1.755377 0.108371
C -0.775695 -2.290018 0.412135
C -5.212263 -0.950170 0.219332
C 0.685675 -2.542802 -0.010091
C 1.959871 1.182167 0.224404
C -3.501109 0.593777 -1.801285
C 1.192973 -0.028119 -1.870930
C 3.069646 -1.655698 -0.065893
C -4.923342 1.037917 1.829687
C 3.421117 0.826014 0.193681
C 3.951534 -0.441999 0.067795
C 5.937780 0.631009 0.178518
H -2.656450 -0.542381 1.422230
H -1.380244 -1.104621 -1.298981
H -0.367340 0.250408 1.273670
H -2.479520 1.889982 1.288064
H -2.865008 2.760183 -0.219873
H -0.966251 1.682117 -1.390039
H -0.394047 2.414750 0.115298
H 1.568490 -1.185066 1.415356
H -3.813534 -2.569476 0.852246
H -3.774294 -2.221313 -0.890759
H -1.410398 -3.147643 0.115634
H -0.831390 -2.220082 1.520237
H -5.825919 -1.072357 -0.691485
H -5.821440 -1.287267 1.079107
H 1.079651 -3.443392 0.502897
H 0.728136 -2.762693 -1.096491
H 1.643575 1.424420 1.262184
H 1.774310 2.092153 -0.378588
H -2.515925 0.518593 -2.291273
H -4.114138 -0.255006 -2.151075
H -3.995919 1.515578 -2.148208
H 2.249973 -0.103182 -2.181439
H 0.647588 -0.880119 -2.313338
H 0.788619 0.896444 -2.321072
H 3.125882 -2.047742 -1.102822
H 3.456175 -2.463546 0.585300
H -5.954927 0.883590 2.204450
H -4.248345 0.471320 2.496082
H -4.684837 2.112051 1.918341
H -6.601373 1.457315 -0.030396
H 7.693016 1.779326 0.293255
H 7.913245 0.040612 0.130600


