%chk=000239012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239012

0 1
S -0.481401 2.226845 0.568463
O -0.556521 3.369805 -0.336576
O -0.526521 2.435996 2.008072
O 4.825496 -2.028911 1.091407
O -5.098176 -2.811431 0.915649
N 4.509470 -0.722298 -0.786213
N -4.901440 -1.463793 -0.954604
C 0.965620 1.352232 0.191646
C -1.761846 1.137210 0.141465
C 1.530745 0.481453 1.129274
C 1.594979 1.545173 -1.042533
C -2.364721 1.231039 -1.116981
C -2.220187 0.189837 1.062014
C 3.315419 -0.040162 -0.414656
C 2.695541 -0.223765 0.835374
C 2.761455 0.854950 -1.360426
C -3.841451 -0.601050 -0.545751
C -3.397560 0.368246 -1.475034
C -3.250361 -0.687542 0.727766
C 5.210181 -1.681895 -0.002920
C 6.448833 -2.206535 -0.670444
C -5.472989 -2.516918 -0.196978
H 1.063449 0.356192 2.113315
H 1.173530 2.255356 -1.764855
H -2.030686 1.998233 -1.826618
H -1.777361 0.138251 2.063890
H 3.126727 -0.908153 1.575049
H 3.237580 1.016148 -2.323353
H -3.855426 0.453876 -2.456457
H -3.599175 -1.430676 1.453778
H 4.889326 -0.482096 -1.705661
H -5.279314 -1.288083 -1.889319
H 6.237282 -2.716172 -1.620047
H 6.938869 -2.948721 -0.015082
H 7.191083 -1.419724 -0.863331
H -6.287350 -3.031217 -0.736122


%chk=000239012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239012

0 1
S -0.485303 2.186860 0.578426
O -0.556710 3.439675 -0.478976
O -0.536161 2.366634 2.205027
O 5.185150 -1.984832 1.178303
O -5.576659 -2.760586 0.956380
N 4.704947 -0.726713 -0.746228
N -5.171515 -1.407912 -0.942538
C 1.104536 1.244524 0.179341
C -1.910219 1.029446 0.115990
C 1.675228 0.431477 1.170627
C 1.696125 1.449471 -1.077649
C -2.477595 1.163214 -1.161285
C -2.397380 0.135861 1.082138
C 3.493019 -0.080466 -0.385972
C 2.879686 -0.246082 0.888253
C 2.898886 0.775252 -1.357729
C -4.069694 -0.601928 -0.542901
C -3.566176 0.334033 -1.490058
C -3.486534 -0.697635 0.752070
C 5.484500 -1.617900 0.007709
C 6.734240 -2.104856 -0.723642
C -5.838930 -2.393960 -0.218177
H 1.204468 0.349591 2.155933
H 1.240259 2.137950 -1.796466
H -2.093612 1.915204 -1.858220
H -1.954450 0.110062 2.083290
H 3.353195 -0.889326 1.631113
H 3.384365 0.919169 -2.331324
H -4.032310 0.418974 -2.479685
H -3.892974 -1.406973 1.474762
H 5.055216 -0.509694 -1.682745
H -5.524711 -1.241933 -1.889180
H 6.474196 -2.629109 -1.662122
H 7.273928 -2.802569 -0.067762
H 7.406408 -1.263204 -0.974642
H -6.664320 -2.840017 -0.818860


