%chk=000236070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236070

0 1
S -0.462494 -1.418916 1.319729
O 3.283056 2.690045 -0.472944
O 1.872931 3.159423 1.379352
O -1.078649 -0.825253 2.485658
O 0.092796 -2.754104 1.402268
N -1.654833 -1.595131 0.081669
C 1.500338 -0.567612 -0.418953
C 0.673607 -0.292854 0.672199
C 1.483577 -1.871658 -1.166277
C 2.437923 0.402908 -0.885370
C 0.724526 0.954222 1.359281
C 2.477819 1.602116 -0.220553
C 1.623274 1.876615 0.897169
C 2.453618 -2.885218 -0.528768
C 2.926342 3.710104 0.529317
C 2.661715 -4.099649 -1.427113
C -2.576522 -0.598142 -0.333488
C -2.756579 0.590786 0.399355
C -3.305192 -0.813149 -1.524792
C -3.636668 1.561779 -0.079837
C -4.182210 0.170601 -1.979486
C -4.347128 1.363580 -1.267947
H 0.470377 -2.317386 -1.218114
H 1.762030 -1.708366 -2.229866
H 3.091436 0.190693 -1.728259
H 0.078567 1.159247 2.222145
H 3.425094 -2.400399 -0.314831
H 2.041755 -3.213190 0.455209
H -1.818821 -2.533586 -0.307091
H 3.813434 3.885630 1.152475
H 2.515541 4.574088 -0.009932
H 1.718078 -4.623359 -1.622090
H 3.099015 -3.828370 -2.393804
H 3.336478 -4.823330 -0.952754
H -2.255806 0.747875 1.356392
H -3.184998 -1.734379 -2.086744
H -3.775306 2.482755 0.487392
H -4.743274 0.006299 -2.899387
H -5.028945 2.127083 -1.631307


%chk=000236070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236070

0 1
S -0.617556 -1.626408 0.974174
O 3.335800 2.817900 0.087987
O 1.648604 3.094924 1.773442
O -1.483256 -1.053871 2.235059
O 0.023458 -3.123546 1.050511
N -1.709157 -1.684992 -0.719812
C 1.646979 -0.521458 -0.437691
C 0.675369 -0.310077 0.570830
C 1.769341 -1.788618 -1.269473
C 2.594730 0.529410 -0.643111
C 0.570673 0.847232 1.385551
C 2.515903 1.671797 0.152917
C 1.524856 1.830847 1.148172
C 2.786766 -2.799520 -0.665907
C 2.906144 3.674451 1.232335
C 2.921378 -4.061925 -1.541734
C -2.692520 -0.654305 -0.802169
C -2.291222 0.610109 -1.318900
C -4.049324 -0.857558 -0.419710
C -3.234840 1.646257 -1.458381
C -4.993191 0.176216 -0.587181
C -4.588566 1.432361 -1.099154
H 0.789074 -2.284874 -1.375432
H 2.104677 -1.513742 -2.288905
H 3.365110 0.427942 -1.412375
H -0.212525 0.933184 2.143584
H 3.773243 -2.306630 -0.554645
H 2.441102 -3.083165 0.344546
H -2.134559 -2.626443 -0.585058
H 3.687501 3.642351 2.013332
H 2.703477 4.690415 0.860739
H 1.951912 -4.587529 -1.620373
H 3.257671 -3.810660 -2.566077
H 3.652686 -4.768245 -1.108604
H -1.248956 0.746540 -1.625273
H -4.353848 -1.821415 0.006338
H -2.921625 2.616130 -1.859727
H -6.037988 0.010724 -0.303091
H -5.321418 2.237988 -1.216829


