%chk=000272804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272804

0 1
S 1.180016 2.192464 -0.839987
O -1.398892 1.852497 -1.204171
N 0.790961 0.946339 1.468887
C 1.931022 1.463794 0.671231
C 2.940753 0.437328 0.242698
C -0.403397 0.703692 0.719733
C -0.487359 1.560908 -0.498249
C -1.350217 -0.155311 1.150681
C 4.305196 0.696758 0.443403
C 2.544075 -0.767235 -0.357878
C -2.668376 -0.392711 0.550369
C 5.262251 -0.242147 0.048620
C 3.504586 -1.703499 -0.748457
C 4.864024 -1.443509 -0.545728
C -3.533914 0.661529 0.220309
C -3.083533 -1.722133 0.344998
C -4.796763 0.389093 -0.313865
C -4.343089 -1.985803 -0.194936
C -5.203109 -0.931484 -0.523432
H 2.400636 2.291688 1.269408
H 1.060051 0.179046 2.094126
H -1.160376 -0.764895 2.043440
H 4.625827 1.631155 0.902673
H 1.488257 -0.972773 -0.534575
H 6.320465 -0.035279 0.203358
H 3.192875 -2.635895 -1.217883
H 5.610776 -2.173928 -0.853592
H -3.217375 1.694480 0.368115
H -2.419602 -2.545656 0.599170
H -5.461851 1.212236 -0.571854
H -4.657860 -3.014726 -0.360536
H -6.185259 -1.140423 -0.942876


%chk=000272804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272804

0 1
S 1.311062 2.223992 -0.649693
O -1.391579 2.191743 -1.098382
N 0.809403 -0.052925 0.648593
C 1.918547 0.893034 0.605518
C 3.233566 0.256160 0.208201
C -0.492309 0.339995 0.282681
C -0.455868 1.589901 -0.530997
C -1.589827 -0.424260 0.665223
C 4.417398 0.590230 0.910036
C 3.296741 -0.670041 -0.864465
C -3.029306 -0.415136 0.397296
C 5.652470 0.007691 0.546228
C 4.528535 -1.255376 -1.224433
C 5.710002 -0.917569 -0.520702
C -3.746918 0.506995 -0.428765
C -3.785469 -1.451196 1.039980
C -5.141469 0.385013 -0.594164
C -5.177443 -1.565320 0.872507
C -5.868571 -0.644030 0.049773
H 2.036078 1.452582 1.555129
H 0.975126 -0.967877 1.066180
H -1.303880 -1.259878 1.326199
H 4.372477 1.305514 1.740931
H 2.381192 -0.914709 -1.414566
H 6.563752 0.271616 1.093807
H 4.572747 -1.967842 -2.055564
H 6.666438 -1.370850 -0.803751
H -3.208369 1.312920 -0.929443
H -3.260755 -2.173355 1.679351
H -5.666714 1.104328 -1.232934
H -5.723578 -2.368881 1.379319
H -6.952678 -0.726870 -0.085892


