%chk=000245743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245743

0 1
S -0.198311 -0.485003 1.038747
N -2.536198 -0.307918 -0.099588
C -5.331385 0.558936 -0.277270
C -4.929542 -0.918070 -0.370597
C -4.290340 1.329499 0.543729
C -3.512163 -1.072163 -0.946922
C -2.879295 1.151355 -0.040472
C -1.146187 -0.521876 -0.549443
C 1.435156 -0.220699 0.455357
C 1.907982 1.090718 0.283480
C 2.274594 -1.325695 0.235697
C 4.078913 0.196559 -0.355964
C 3.234170 1.291917 -0.127015
C 3.598829 -1.107836 -0.173137
C 1.025763 2.271122 0.524687
C 1.783617 -2.722088 0.427855
C 5.495758 0.419805 -0.777367
H -6.329740 0.653308 0.188200
H -5.420515 0.996062 -1.289338
H -4.964448 -1.376402 0.638990
H -5.647817 -1.478378 -0.995327
H -4.543401 2.403906 0.583725
H -4.298885 0.964670 1.591382
H -3.218804 -2.144372 -0.920791
H -3.498731 -0.750472 -2.010064
H -2.813829 1.646476 -1.032730
H -2.138734 1.647127 0.626997
H -0.738577 0.237618 -1.243419
H -1.007982 -1.516603 -1.016257
H 3.610308 2.301752 -0.263174
H 4.257074 -1.954753 -0.344718
H 1.566908 3.223981 0.471976
H 0.208912 2.317561 -0.209336
H 0.553863 2.221833 1.520131
H 0.968915 -2.962780 -0.270248
H 2.569021 -3.474340 0.285849
H 1.375074 -2.866467 1.442013
H 5.619924 1.345788 -1.354098
H 6.151059 0.496331 0.103630
H 5.881744 -0.400408 -1.396973


%chk=000245743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245743

0 1
S -0.621622 -0.202901 0.746988
N -2.634875 0.058485 -1.414218
C -4.875615 0.119791 0.504652
C -4.128371 -1.198527 0.185022
C -3.933583 1.337049 0.332485
C -3.500647 -1.130697 -1.232640
C -3.305939 1.338758 -1.087149
C -1.246095 -0.063241 -1.227368
C 1.192311 -0.091545 0.433658
C 1.831377 1.184510 0.425112
C 1.947149 -1.280883 0.204694
C 3.997368 0.084033 -0.057790
C 3.224867 1.246914 0.174711
C 3.338162 -1.168479 -0.040631
C 1.059221 2.464927 0.690979
C 1.298201 -2.653764 0.229550
C 5.496040 0.174587 -0.289778
H -5.281924 0.091813 1.533018
H -5.742960 0.225144 -0.181342
H -3.328373 -1.367199 0.931148
H -4.820768 -2.061331 0.236432
H -4.488430 2.283136 0.486484
H -3.124897 1.294715 1.086762
H -2.902275 -2.035406 -1.441898
H -4.313369 -1.081410 -1.987357
H -4.105845 1.506981 -1.838361
H -2.570592 2.156766 -1.190525
H -0.689265 0.820938 -1.571407
H -0.842532 -0.989000 -1.663107
H 3.716519 2.228366 0.165739
H 3.918549 -2.082976 -0.219084
H 1.723036 3.344785 0.626594
H 0.229786 2.600475 -0.027646
H 0.593933 2.446187 1.693121
H 0.503402 -2.744514 -0.533909
H 2.045609 -3.445386 0.046179
H 0.810771 -2.844834 1.202402
H 5.776112 1.131913 -0.764064
H 6.051538 0.107479 0.666318
H 5.856726 -0.645654 -0.935577


