%chk=000211710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211710

0 1
S -3.526698 1.378844 0.049432
S -1.055015 3.050828 0.054176
O -1.590109 -1.823120 -0.898379
N -1.188138 0.417102 -0.502390
C -3.496137 -0.400791 -0.354269
C 0.284590 0.275760 -0.708422
C -2.040874 -0.742786 -0.612807
C -4.078074 -1.221960 0.792962
C 1.008358 0.042421 0.627085
C -1.775891 1.620335 -0.149474
C 2.485827 -0.103396 0.383852
C -5.585927 -1.042422 0.920960
C 3.040514 -1.370105 0.146853
C 3.314005 1.029299 0.384819
C 4.413096 -1.500566 -0.081022
C 4.685632 0.892516 0.156230
C 5.237972 -0.371250 -0.076332
H -4.084300 -0.569225 -1.293543
H 0.455860 -0.586089 -1.397763
H 0.674659 1.190478 -1.213602
H -3.582836 -0.961887 1.752647
H -3.842784 -2.297593 0.618631
H 0.603226 -0.858494 1.132330
H 0.810017 0.883567 1.325700
H -5.861449 -0.009331 1.169514
H -6.114965 -1.312783 -0.000758
H -5.987375 -1.678771 1.720936
H 2.403092 -2.252548 0.139757
H 2.888125 2.015598 0.563709
H 4.840493 -2.485398 -0.262879
H 5.325618 1.773518 0.159450
H 6.306290 -0.475349 -0.253104


%chk=000211710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211710

0 1
S -3.589345 1.469363 -0.043280
S -0.977220 3.114187 -0.061964
O -1.606427 -1.890375 -0.843481
N -1.198865 0.405016 -0.526268
C -3.513232 -0.408121 -0.364455
C 0.265369 0.250090 -0.709456
C -2.036743 -0.733592 -0.606679
C -4.110280 -1.237633 0.794754
C 0.992598 -0.018220 0.636650
C -1.781874 1.644547 -0.230732
C 2.493230 -0.133839 0.415268
C -5.624916 -1.015540 0.970875
C 3.090422 -1.389389 0.134129
C 3.316033 1.022016 0.439064
C 4.478219 -1.490025 -0.112959
C 4.703988 0.925001 0.193100
C 5.289698 -0.332171 -0.084231
H -4.074012 -0.599749 -1.297078
H 0.417644 -0.597127 -1.399436
H 0.644266 1.179269 -1.167238
H -3.574196 -0.992005 1.730642
H -3.902037 -2.301470 0.568468
H 0.591530 -0.949991 1.075585
H 0.766413 0.814405 1.327292
H -5.851584 0.037099 1.221553
H -6.177613 -1.275301 0.048811
H -6.016159 -1.646513 1.788106
H 2.465632 -2.291219 0.115173
H 2.866193 1.998611 0.657797
H 4.926085 -2.467754 -0.323754
H 5.327620 1.825725 0.220830
H 6.366365 -0.408894 -0.272787


