%chk=000214518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214518

0 1
S -1.514962 1.687751 1.352301
S 1.580872 1.604176 -1.370331
O -4.458736 -4.091878 -0.348029
O 4.261187 -4.285447 0.379567
N -1.279629 1.656926 -1.269788
N 1.344970 1.609864 1.251888
N -2.734401 -3.616658 1.034612
N 2.559027 -3.744634 -1.006462
C -3.696248 1.716151 -0.498966
C 3.761634 1.552101 0.481084
C -4.350008 0.558058 0.300001
C 4.362472 0.358846 -0.307597
C -2.195853 1.680502 -0.325200
C 2.261116 1.582593 0.307333
C -3.820301 -0.827993 -0.084095
C 3.771406 -0.998634 0.088812
C -4.205006 3.063354 0.048580
C -4.052264 1.606948 -1.990365
C 4.330382 2.870210 -0.078138
C 4.112638 1.440032 1.973459
C 0.076014 1.643948 0.692573
C -0.010307 1.638996 -0.710556
C -4.512906 -1.925715 0.732099
C 4.412317 -2.133251 -0.719131
C -3.936109 -3.288121 0.404026
C 3.774814 -3.465346 -0.379134
H -5.446084 0.595109 0.133613
H -4.217082 0.724652 1.386813
H 5.459188 0.348195 -0.141607
H 4.236696 0.521615 -1.395842
H -2.723472 -0.876708 0.065220
H -3.983554 -1.012108 -1.167173
H 2.673232 -0.999045 -0.058541
H 3.928128 -1.180951 1.173153
H -3.712178 3.908406 -0.449422
H -4.035065 3.175778 1.124723
H -5.281927 3.176652 -0.123261
H -3.621033 2.435448 -2.568037
H -3.658846 0.683923 -2.436221
H -5.135269 1.618054 -2.146758
H 3.876227 3.740904 0.412408
H 4.165350 2.980764 -1.155238
H 5.411358 2.936407 0.092834
H 3.719572 2.292329 2.543699
H 3.677834 0.539807 2.427398
H 5.195068 1.403374 2.129953
H -5.600394 -1.946861 0.497563
H -4.448394 -1.714276 1.817019
H 5.498079 -2.201761 -0.485685
H 4.355803 -1.927975 -1.805679
H -2.236228 -2.989105 1.637312
H -2.301037 -4.508819 0.854650
H 2.088940 -3.100103 -1.613800
H 2.085768 -4.614587 -0.818438


%chk=000214518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214518

0 1
S -1.495300 1.774025 1.484045
S 1.574081 1.694814 -1.504091
O -4.526949 -3.548917 -0.959222
O 4.278494 -3.743297 0.995386
N -1.316330 1.758594 -1.221184
N 1.394650 1.712023 1.200992
N -3.928565 -4.253143 1.166447
N 3.713101 -4.432723 -1.144027
C -3.733184 1.818405 -0.429353
C 3.811484 1.654470 0.410524
C -4.392376 0.636276 0.360100
C 4.413586 0.431794 -0.362923
C -2.225399 1.778157 -0.256857
C 2.303637 1.683628 0.236864
C -3.973605 -0.775191 -0.102074
C 3.913106 -0.951026 0.104543
C -4.273678 3.163742 0.146064
C -4.076178 1.735661 -1.940411
C 4.416610 2.964413 -0.181412
C 4.149046 1.574061 1.923019
C 0.114400 1.744087 0.687029
C -0.035695 1.740462 -0.707389
C -4.515418 -1.871107 0.843361
C 4.417680 -2.083226 -0.818294
C -4.322385 -3.278485 0.261232
C 4.129132 -3.472770 -0.233018
H -5.492262 0.745454 0.265136
H -4.157082 0.758944 1.438393
H 5.516749 0.482091 -0.256333
H 4.197121 0.558255 -1.444796
H -2.869523 -0.846048 -0.148944
H -4.350033 -0.985594 -1.118531
H 2.806047 -0.963837 0.128144
H 4.256159 -1.169552 1.131067
H -3.806798 4.024982 -0.363775
H -4.071868 3.252863 1.229136
H -5.367087 3.219652 -0.007847
H -3.679135 2.612640 -2.479075
H -3.643150 0.837805 -2.409686
H -5.174514 1.708659 -2.064049
H 3.993564 3.853637 0.318507
H 4.217458 3.050159 -1.265260
H 5.511693 2.968446 -0.029671
H 3.798055 2.477617 2.449544
H 3.669561 0.706366 2.403575
H 5.244413 1.491316 2.048180
H -5.606431 -1.723899 0.981688
H -4.049268 -1.786976 1.844331
H 5.518696 -1.998723 -0.927259
H 3.984935 -1.980727 -1.832585
H -3.733209 -4.039099 2.142548
H -3.813543 -5.210419 0.833096
H 3.562825 -4.217441 -2.127783
H 3.535481 -5.379401 -0.807903


