%chk=000267641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267641

0 1
S 6.383505 0.688475 -0.249418
O -1.712188 0.445124 0.203847
O 6.678539 0.660650 -1.672647
O 6.931483 1.753677 0.577226
O -0.316230 -0.463060 -1.372511
N 0.483230 0.727493 0.504629
C -2.894294 -0.112841 -0.505250
C 4.661206 0.682300 -0.044101
C -3.984610 0.905377 -0.280514
C -3.152233 -1.477162 0.085806
C 6.871296 -0.863514 0.449285
C 1.888186 0.699127 0.277991
C 4.091477 1.292915 1.078027
C 3.837134 0.111990 -1.019925
C 2.710481 1.302445 1.256823
C 2.452747 0.104319 -0.865572
C -5.043412 0.971589 -1.199027
C -2.464133 -2.578544 -0.450097
C -3.955514 1.772527 0.819585
C -4.043676 -1.665226 1.149729
C 8.381396 -1.006120 0.349320
C -0.481267 0.159361 -0.346857
C -6.067052 1.903660 -1.012041
C -2.677965 -3.856631 0.068850
C -4.979407 2.707513 0.997221
C -4.255505 -2.947751 1.665842
C -6.035828 2.773230 0.083807
C -3.575782 -4.043346 1.126221
H -2.626346 -0.180994 -1.590958
H 6.556048 -0.952268 1.507492
H 6.380526 -1.714588 -0.062689
H 4.735759 1.779187 1.822059
H 4.278763 -0.326054 -1.923778
H 2.281013 1.778881 2.134473
H 1.814364 -0.349959 -1.631616
H -5.073310 0.297715 -2.054350
H -1.751937 -2.431077 -1.267127
H -3.127841 1.717679 1.527924
H -4.576274 -0.814670 1.576935
H 8.906105 -0.205722 0.893590
H 8.727868 -0.977451 -0.695431
H 8.720193 -1.959752 0.774225
H 0.140902 1.210440 1.343544
H -6.890286 1.954199 -1.723505
H -2.144129 -4.708558 -0.349738
H -4.952860 3.385120 1.849280
H -4.952000 -3.090712 2.490481
H -6.833487 3.501041 0.223855
H -3.743152 -5.041337 1.528385


%chk=000267641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267641

0 1
S 6.533386 0.762958 -0.057883
O -1.750015 0.477629 0.300095
O 6.872302 0.923264 -1.653931
O 7.085630 1.826721 1.062600
O -0.349788 -0.249075 -1.458409
N 0.478528 0.633686 0.582238
C -2.959406 -0.036150 -0.444859
C 4.657134 0.673797 0.130107
C -4.092856 0.959636 -0.211323
C -3.227105 -1.469042 -0.001979
C 7.184733 -0.996497 0.475882
C 1.880126 0.629646 0.384112
C 4.091469 1.112808 1.339083
C 3.886210 0.242197 -0.961315
C 2.690244 1.085091 1.462770
C 2.482366 0.211642 -0.835700
C -5.425004 0.574098 -0.511939
C -2.812272 -2.543182 -0.827248
C -3.842283 2.286871 0.213337
C -3.844715 -1.749169 1.243820
C 8.703136 -1.002573 0.332609
C -0.509165 0.233376 -0.310473
C -6.484386 1.498930 -0.389317
C -3.016857 -3.880303 -0.418446
C -4.904775 3.209896 0.343780
C -4.043659 -3.083834 1.655716
C -6.229305 2.821661 0.041192
C -3.632415 -4.153536 0.824409
H -2.677143 -0.038813 -1.515958
H 6.826367 -1.105199 1.512025
H 6.662863 -1.688515 -0.204345
H 4.731650 1.493343 2.141893
H 4.371627 -0.036152 -1.902891
H 2.221601 1.425117 2.394116
H 1.852276 -0.122124 -1.662030
H -5.633249 -0.450709 -0.839817
H -2.317153 -2.327912 -1.781384
H -2.817942 2.590404 0.446740
H -4.170743 -0.920880 1.883194
H 9.164916 -0.237510 0.980142
H 9.002710 -0.810733 -0.712082
H 9.096448 -1.992260 0.629878
H 0.128266 0.968693 1.482772
H -7.507272 1.186663 -0.627602
H -2.695305 -4.704245 -1.064866
H -4.696297 4.232537 0.677903
H -4.520294 -3.292697 2.619999
H -7.051776 3.538889 0.139049
H -3.791305 -5.189749 1.143636


