%chk=000189428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189428

0 1
S -0.688298 -4.225541 0.025594
N -0.128833 0.287480 -0.122020
C 0.927909 -0.579191 -0.085868
C 2.281706 0.020407 -0.092968
C -1.390566 -0.222937 -0.131305
C -2.506781 0.753982 -0.182156
C 0.748124 -1.976008 -0.037589
C -0.557564 -2.476124 -0.039240
C -1.647565 -1.610951 -0.089873
C 3.311874 -0.568445 -0.844818
C 2.544867 1.186397 0.645108
C 4.857322 1.147864 -0.094478
C 4.589588 -0.009319 -0.844764
C 3.824386 1.742329 0.648085
C -3.571869 0.554652 -1.075316
C -2.499687 1.877577 0.659026
C 6.223516 1.751966 -0.103246
C -4.627777 1.468381 -1.113901
C -3.561665 2.785060 0.617557
C -4.626355 2.581043 -0.265765
C -2.451330 -4.596311 0.060642
H 1.611523 -2.637772 0.013932
H -2.673052 -1.967799 -0.086298
H 3.112876 -1.459615 -1.440068
H 1.740108 1.659801 1.211154
H 5.380127 -0.471136 -1.432475
H 4.018249 2.644319 1.224931
H -3.569209 -0.302927 -1.746304
H -1.658945 2.042429 1.334305
H 6.458399 2.266877 0.837955
H 7.011187 1.004057 -0.264501
H 6.312318 2.495583 -0.909938
H -5.451718 1.315369 -1.808661
H -3.555804 3.655227 1.271967
H -5.451604 3.290178 -0.297065
H -2.551665 -5.690061 0.124431
H -2.965471 -4.263352 -0.848316
H -2.951320 -4.161589 0.934344


%chk=000189428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189428

0 1
S -0.708165 -4.374326 -0.537359
N -0.130007 0.219217 -0.074674
C 0.938179 -0.638431 -0.165318
C 2.295409 -0.021824 -0.109186
C -1.399954 -0.285745 -0.122426
C -2.514504 0.704917 -0.020256
C 0.756446 -2.035852 -0.326104
C -0.556822 -2.562444 -0.355688
C -1.652779 -1.680451 -0.243739
C 3.467654 -0.786227 0.134730
C 2.439279 1.379494 -0.296362
C 4.883592 1.225503 -0.023039
C 4.735702 -0.171216 0.178161
C 3.708380 1.987976 -0.254973
C -3.841187 0.394172 -0.425240
C -2.248208 2.004633 0.489847
C 6.253672 1.879254 -0.009975
C -4.872482 1.351218 -0.313824
C -3.278731 2.959922 0.603761
C -4.597675 2.637885 0.204726
C -2.566686 -4.630558 -0.585152
H 1.615922 -2.701350 -0.444119
H -2.678996 -2.052308 -0.226960
H 3.399525 -1.863809 0.320598
H 1.534189 1.968575 -0.471052
H 5.624112 -0.782550 0.378727
H 3.792554 3.071431 -0.405597
H -4.073274 -0.585580 -0.857419
H -1.222005 2.237281 0.789011
H 6.206643 2.911535 0.379846
H 6.968868 1.310772 0.610191
H 6.676653 1.934593 -1.032305
H -5.887566 1.096850 -0.639106
H -3.055802 3.955008 1.004987
H -5.399153 3.380040 0.291751
H -2.704830 -5.714511 -0.718265
H -3.011050 -4.095537 -1.438837
H -3.029900 -4.315656 0.362733


%chk=000189428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189428

0 1
S -0.708165 -4.374326 -0.537359
N -0.130007 0.219217 -0.074674
C 0.938179 -0.638431 -0.165318
C 2.295409 -0.021824 -0.109186
C -1.399954 -0.285745 -0.122426
C -2.514504 0.704917 -0.020256
C 0.756446 -2.035852 -0.326104
C -0.556822 -2.562444 -0.355688
C -1.652779 -1.680451 -0.243739
C 3.467654 -0.786227 0.134730
C 2.439279 1.379494 -0.296362
C 4.883592 1.225503 -0.023039
C 4.735702 -0.171216 0.178161
C 3.708380 1.987976 -0.254973
C -3.841187 0.394172 -0.425240
C -2.248208 2.004633 0.489847
C 6.253672 1.879254 -0.009975
C -4.872482 1.351218 -0.313824
C -3.278731 2.959922 0.603761
C -4.597675 2.637885 0.204726
C -2.566686 -4.630558 -0.585152
H 1.615922 -2.701350 -0.444119
H -2.678996 -2.052308 -0.226960
H 3.399525 -1.863809 0.320598
H 1.534189 1.968575 -0.471052
H 5.624112 -0.782550 0.378727
H 3.792554 3.071431 -0.405597
H -4.073274 -0.585580 -0.857419
H -1.222005 2.237281 0.789011
H 6.206643 2.911535 0.379846
H 6.968868 1.310772 0.610191
H 6.676653 1.934593 -1.032305
H -5.887566 1.096850 -0.639106
H -3.055802 3.955008 1.004987
H -5.399153 3.380040 0.291751
H -2.704830 -5.714511 -0.718265
H -3.011050 -4.095537 -1.438837
H -3.029900 -4.315656 0.362733


