%chk=000203300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203300

0 1
S -5.337445 0.146329 0.627673
O 1.473619 2.388995 0.244155
O 1.494032 -2.151477 1.153681
N 1.169710 0.148488 0.854730
N -7.829307 -0.153563 -0.220918
N -6.050076 -0.322820 -1.887251
C -0.198338 0.254022 1.413531
C -1.257032 0.060042 0.316771
C -2.671111 0.173244 0.904939
C 3.178833 0.670451 -0.208430
C 3.185057 -0.725218 0.070682
C 1.884297 1.259305 0.279159
C 1.894971 -1.092282 0.749693
C -3.713074 -0.016976 -0.187268
C 4.246552 1.279223 -0.830689
C 4.258964 -1.517372 -0.271455
C 5.351496 0.467720 -1.184675
C 5.357538 -0.895007 -0.912189
C -6.503737 -0.122287 -0.701355
H -0.305364 1.256202 1.890192
H -0.311282 -0.517922 2.210205
H -1.114648 0.813954 -0.483655
H -1.123009 -0.927831 -0.168268
H -2.792823 1.163105 1.393596
H -2.802850 -0.584225 1.706592
H -3.623431 0.734405 -0.996699
H -3.639396 -1.008650 -0.677022
H 4.245987 2.348580 -1.045793
H 4.267861 -2.587205 -0.058796
H 6.207537 0.929577 -1.679297
H 6.218313 -1.504261 -1.192657
H -8.570610 0.052014 -0.875683
H -8.021250 0.195117 0.708517
H -6.674681 -0.493677 -2.668115


%chk=000203300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203300

0 1
S -5.465758 0.177371 0.752816
O 1.515003 2.430543 0.230429
O 1.502005 -2.190816 1.136083
N 1.192481 0.147914 0.821465
N -7.899388 -0.082726 -0.354034
N -6.016656 -0.290486 -1.891203
C -0.155792 0.264676 1.396256
C -1.268114 0.083612 0.337259
C -2.672279 0.205369 0.974916
C 3.213520 0.660039 -0.219218
C 3.209636 -0.730125 0.053483
C 1.920331 1.242317 0.268132
C 1.913848 -1.078328 0.723391
C -3.773285 0.030850 -0.082719
C 4.304573 1.279740 -0.845549
C 4.296779 -1.546376 -0.290927
C 5.410041 0.462168 -1.199469
C 5.406228 -0.929120 -0.926395
C -6.553301 -0.108616 -0.715894
H -0.233025 1.263832 1.861872
H -0.248236 -0.507519 2.181221
H -1.145080 0.848919 -0.452764
H -1.156357 -0.908711 -0.140158
H -2.772751 1.195370 1.462939
H -2.786780 -0.560820 1.767367
H -3.734322 0.803253 -0.866593
H -3.741746 -0.956438 -0.569689
H 4.296393 2.354756 -1.050851
H 4.282734 -2.619091 -0.074193
H 6.279981 0.910466 -1.691224
H 6.273408 -1.534549 -1.211127
H -8.621070 -0.195977 -1.062786
H -8.186079 0.047530 0.614515
H -6.691639 -0.449024 -2.663449


