%chk=000232598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232598

0 1
S 0.385463 2.023605 0.817696
O 4.076149 -1.275023 0.609765
N 2.036397 0.627050 -0.667049
N -0.157843 -0.312380 -0.579022
C 2.929366 1.466024 0.198051
C 2.114608 2.602314 0.808378
C 2.652479 -0.629127 -1.166265
C 0.697123 0.579872 -0.219024
C 2.883927 -1.697775 -0.089437
C -1.546144 -0.299634 -0.260664
C -2.465233 -0.252625 -1.327171
C -1.996670 -0.448157 1.064828
C -3.829942 -0.353975 -1.056898
C -3.366880 -0.550496 1.312559
C -4.284635 -0.502289 0.258530
H 3.739890 1.861245 -0.456000
H 3.425864 0.842961 0.983504
H 2.431342 2.839119 1.839267
H 2.183938 3.532517 0.214062
H 3.624791 -0.365771 -1.644868
H 1.986572 -1.041649 -1.963930
H 3.063835 -2.689814 -0.539583
H 2.048396 -1.762205 0.631129
H -2.105263 -0.142288 -2.348385
H -1.285220 -0.487990 1.886209
H 4.328292 -1.940805 1.277020
H -4.545873 -0.316817 -1.877029
H -3.721217 -0.666731 2.335963
H -5.350112 -0.579958 0.459966


%chk=000232598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232598

0 1
S 0.433905 2.058232 1.218190
O 4.048961 -1.506372 0.457219
N 2.082817 0.589704 -0.319742
N -0.136855 -0.192199 -0.495907
C 2.992120 1.434284 0.480655
C 2.193519 2.687403 0.877817
C 2.597247 -0.483744 -1.183543
C 0.733330 0.626806 0.012374
C 2.906523 -1.785685 -0.434437
C -1.517290 -0.263983 -0.217535
C -2.387608 -0.634116 -1.282104
C -2.073689 -0.053547 1.078866
C -3.774826 -0.756007 -1.066290
C -3.464004 -0.182497 1.286561
C -4.324682 -0.527753 0.218831
H 3.873045 1.700822 -0.130542
H 3.352120 0.882471 1.370212
H 2.577518 3.150616 1.798503
H 2.142258 3.426962 0.064012
H 3.517265 -0.124975 -1.680521
H 1.827908 -0.692872 -1.947099
H 3.166698 -2.573646 -1.173365
H 2.013272 -2.105936 0.137759
H -1.950410 -0.813320 -2.269845
H -1.416570 0.183590 1.923611
H 4.247939 -2.307526 1.002782
H -4.429678 -1.032185 -1.900926
H -3.874648 -0.018867 2.289808
H -5.402785 -0.626462 0.386256


