%chk=000239788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239788

0 1
S 3.730704 1.977620 -0.115686
O -3.624276 1.809901 -0.220622
O -5.954341 0.182684 -0.184270
N 2.856828 -0.525408 -0.017362
N 1.120337 1.217878 -0.121152
N 0.063840 0.340051 -0.098433
C -2.290730 -0.101404 -0.114815
C -3.598855 0.433876 -0.158962
C 4.925653 0.704498 -0.040870
C 4.275889 -0.562441 0.005754
C -4.716874 -0.442636 -0.137204
C -2.123784 -1.497338 -0.049904
C 2.410098 0.707958 -0.079080
C -4.527869 -1.823241 -0.072623
C 6.309369 0.813743 -0.024794
C 5.039769 -1.736912 0.069647
C -3.227464 -2.343434 -0.029224
C -1.148477 0.826980 -0.138586
C 7.059312 -0.364643 0.039064
C 6.429466 -1.620375 0.085486
C -4.911988 2.474650 -0.270645
C -7.128286 -0.664896 -0.165763
H -1.109755 -1.909016 -0.015820
H -5.374490 -2.504095 -0.055319
H 6.799937 1.784797 -0.060638
H 4.543833 -2.706268 0.105337
H -3.084235 -3.422083 0.021183
H -1.422907 1.895808 -0.190238
H 8.146530 -0.310459 0.053103
H 7.041717 -2.521412 0.134901
H 0.990976 2.235434 -0.168640
H -5.485980 2.248307 0.634465
H -5.457293 2.168013 -1.169815
H -4.617910 3.528993 -0.312848
H -7.936417 0.076172 -0.211334
H -7.172285 -1.235615 0.766355
H -7.143241 -1.315387 -1.045046


%chk=000239788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239788

0 1
S 3.733501 2.078822 -0.124424
O -3.626841 1.818720 -0.222288
O -6.033362 0.168719 -0.182210
N 2.897199 -0.513644 -0.019784
N 1.119370 1.129849 -0.125046
N 0.078711 0.216749 -0.098971
C -2.310087 -0.159144 -0.117705
C -3.619114 0.418872 -0.160828
C 4.961078 0.737978 -0.042148
C 4.305008 -0.539142 0.005282
C -4.761189 -0.444057 -0.138133
C -2.158022 -1.572874 -0.053265
C 2.435959 0.712395 -0.083840
C -4.582931 -1.844223 -0.073912
C 6.361800 0.853447 -0.023395
C 5.089722 -1.714472 0.072491
C -3.284115 -2.405919 -0.031621
C -1.141448 0.723594 -0.140176
C 7.128143 -0.334866 0.044265
C 6.495463 -1.604291 0.091523
C -4.854636 2.630934 -0.272380
C -7.205211 -0.706842 -0.160020
H -1.142045 -1.976373 -0.021900
H -5.453904 -2.505331 -0.056579
H 6.854547 1.829793 -0.059777
H 4.586911 -2.685225 0.108480
H -3.167581 -3.493120 0.017652
H -1.337249 1.809234 -0.192194
H 8.221163 -0.267827 0.059964
H 7.107274 -2.511326 0.143497
H 0.930545 2.141790 -0.174859
H -5.472480 2.476452 0.626612
H -5.450541 2.399464 -1.169718
H -4.483411 3.667440 -0.312388
H -8.069368 -0.027127 -0.200244
H -7.244748 -1.305469 0.770836
H -7.221314 -1.382679 -1.037195


