%chk=000200537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200537

1 1
S 3.906443 0.925943 0.312090
O -4.291322 0.012125 -1.878965
O 0.401629 1.468356 -0.853570
N -2.330621 -0.213278 0.262727
C -0.961593 -0.826278 0.612765
C -2.177474 0.756566 -0.908845
C -3.252297 -1.361788 -0.162789
C -2.916353 0.530684 1.469121
C 0.084083 0.177345 1.095467
C -3.523524 1.168373 -1.510980
C -4.567659 -0.845149 -0.764603
C 1.140171 0.582780 0.031412
C -3.170217 -0.371510 2.641877
C 1.652187 -0.610755 -0.763062
C 2.258253 1.354923 0.647763
C 2.300238 -1.663074 -0.096817
C 1.484515 -0.666625 -2.152268
C 2.212172 2.456259 1.458801
C -4.384203 -0.573797 3.148797
C 3.517412 2.949844 1.817203
C 4.536094 2.224987 1.272797
C 2.781999 -2.756081 -0.821067
C 1.968233 -1.762676 -2.873368
C 2.618044 -2.807392 -2.209950
H -1.122449 -1.603795 1.396561
H -0.582855 -1.372110 -0.290463
H -1.533942 0.278774 -1.691711
H -1.588321 1.657432 -0.589353
H -3.457693 -2.029125 0.705503
H -2.725072 -1.978510 -0.932117
H -2.199814 1.339191 1.770572
H -3.849768 1.055636 1.151525
H 0.629083 -0.260054 1.964135
H -0.381042 1.104560 1.494213
H -3.386110 1.681310 -2.488936
H -4.118295 1.818127 -0.844263
H -5.204904 -0.325636 -0.027306
H -5.148091 -1.669768 -1.234015
H -2.279094 -0.813549 3.094882
H 1.011897 2.097299 -1.306575
H 2.443743 -1.630951 0.983481
H 0.986592 0.149734 -2.676934
H 1.309393 2.938718 1.807648
H -4.559668 -1.189906 4.028392
H -5.298881 -0.143237 2.757861
H 3.646200 3.815601 2.456753
H 5.599426 2.381014 1.380929
H 3.296581 -3.567464 -0.303888
H 1.846709 -1.797189 -3.957070
H 3.003465 -3.658383 -2.774258


%chk=000200537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200537

1 1
S 3.893892 1.220210 0.261037
O -4.322559 -0.920343 -1.898981
O 0.190338 1.627997 -0.294344
N -2.278526 -0.461521 0.221464
C -0.990196 -1.094996 0.827889
C -2.059450 -0.121442 -1.275976
C -3.375899 -1.550044 0.301883
C -2.691843 0.821130 1.000839
C 0.161104 -0.190275 1.310569
C -3.372684 0.194020 -2.001952
C -4.636544 -1.174555 -0.491067
C 1.065420 0.540864 0.270754
C -2.992065 0.573228 2.459463
C 1.533756 -0.413747 -0.847763
C 2.232186 1.200751 0.989457
C 2.207647 -1.617653 -0.508073
C 1.336510 -0.103338 -2.214391
C 2.207901 1.949343 2.164510
C -4.187637 0.862197 3.031105
C 3.475734 2.533801 2.515566
C 4.479438 2.246446 1.604048
C 2.661003 -2.495958 -1.515638
C 1.797118 -0.979327 -3.224459
C 2.455285 -2.180816 -2.879306
H -1.346594 -1.674566 1.697586
H -0.626814 -1.811237 0.070403
H -1.596521 -1.016479 -1.724483
H -1.342105 0.715267 -1.310184
H -3.609700 -1.708789 1.367962
H -2.926765 -2.465219 -0.120218
H -1.848883 1.519693 0.852311
H -3.576161 1.236652 0.494551
H 0.814922 -0.879714 1.877097
H -0.193832 0.552098 2.044319
H -3.159503 0.307963 -3.076802
H -3.842210 1.134454 -1.645195
H -5.159935 -0.303715 -0.043867
H -5.328730 -2.031589 -0.484341
H -2.172854 0.210943 3.095150
H 0.759883 2.418120 -0.478440
H 2.413228 -1.860000 0.541616
H 0.836510 0.830659 -2.490074
H 1.307802 2.095506 2.767973
H -4.349243 0.737139 4.106790
H -5.033652 1.255241 2.452834
H 3.636168 3.143017 3.407548
H 5.525726 2.547101 1.618633
H 3.187164 -3.415520 -1.238727
H 1.649843 -0.718271 -4.277830
H 2.815628 -2.857229 -3.661144


