%chk=000185252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185252

0 1
S 4.898907 0.152009 1.269485
O 3.510107 0.580665 -0.944506
N 2.794791 -1.204974 0.323651
C -0.895495 -1.085366 -0.792399
C 0.331383 -0.802821 0.082738
C -2.158824 -0.452031 -0.196043
C 1.589645 -1.451417 -0.515318
C -3.389902 -0.718823 -1.076595
C -4.620208 -0.098840 -0.471031
C 2.909247 -1.945998 1.598690
C 3.598191 -0.120103 0.039924
C -4.957560 1.231922 -0.763508
C -5.434042 -0.843454 0.396632
C -6.097824 1.807168 -0.197035
C -6.573520 -0.263272 0.960296
C 5.851547 1.502367 0.497246
C 7.226672 0.976298 0.111810
C -6.908693 1.061858 0.665033
C 8.088446 2.088875 -0.484907
H -1.039310 -2.177257 -0.905943
H -0.726057 -0.693398 -1.815156
H 0.160083 -1.170243 1.112326
H 0.486136 0.291579 0.177779
H -2.017386 0.640563 -0.076280
H -2.338892 -0.843891 0.824132
H 1.457904 -2.549251 -0.628336
H 1.785622 -1.040117 -1.536195
H -3.219503 -0.320194 -2.097540
H -3.531508 -1.810096 -1.211604
H 2.185229 -2.776748 1.630878
H 3.919356 -2.387195 1.699842
H 2.717791 -1.298638 2.473437
H -4.329634 1.817831 -1.431465
H -5.178148 -1.873964 0.632401
H 5.300423 1.890471 -0.389553
H 5.910919 2.330188 1.227997
H -6.355380 2.839474 -0.428079
H -7.202113 -0.845830 1.631596
H 7.129616 0.148572 -0.622058
H 7.741343 0.539675 0.992063
H -7.796282 1.511254 1.103966
H 9.076464 1.709828 -0.770856
H 8.244916 2.908837 0.224898
H 7.630342 2.515489 -1.385514


%chk=000185252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185252

0 1
S 5.087294 0.071891 1.655648
O 3.658014 0.665269 -0.637994
N 2.857858 -1.155937 0.594762
C -0.805046 -0.966747 -0.710228
C 0.377638 -0.768640 0.264244
C -2.138588 -0.419691 -0.155013
C 1.697483 -1.328804 -0.314354
C -3.324047 -0.612445 -1.141856
C -4.634500 -0.068604 -0.592001
C 2.935877 -2.014350 1.788983
C 3.730549 -0.114347 0.352116
C -5.011224 1.281636 -0.813583
C -5.489221 -0.885181 0.193486
C -6.204885 1.803366 -0.265569
C -6.684196 -0.369238 0.744156
C 6.062377 1.441732 0.784991
C 7.092483 0.895520 -0.216870
C -7.046343 0.978937 0.517064
C 7.883322 2.041206 -0.890015
H -0.920568 -2.047125 -0.941130
H -0.575306 -0.464536 -1.672893
H 0.146281 -1.263467 1.229252
H 0.510643 0.309778 0.476886
H -2.032146 0.658975 0.076582
H -2.380635 -0.921744 0.803455
H 1.588521 -2.410386 -0.531452
H 1.940908 -0.810662 -1.257263
H -3.073045 -0.108368 -2.095984
H -3.424321 -1.692976 -1.366419
H 2.415682 -2.963905 1.576211
H 3.987500 -2.244812 2.031380
H 2.467093 -1.546136 2.675678
H -4.366113 1.925798 -1.424718
H -5.218050 -1.934216 0.368935
H 5.309245 2.067368 0.276158
H 6.534369 2.014708 1.602138
H -6.480750 2.847782 -0.451602
H -7.333723 -1.016843 1.344464
H 6.559919 0.305817 -0.985562
H 7.788635 0.206821 0.298904
H -7.974090 1.380237 0.940318
H 8.612739 1.640533 -1.617198
H 8.442234 2.637609 -0.144121
H 7.204930 2.725180 -1.433084


