%chk=000262326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262326

0 1
S -0.327212 0.595105 1.643876
S 2.973081 -2.101542 0.778174
O 0.246057 1.899141 1.874131
O -0.369900 -0.390215 2.692340
O 4.017296 -2.930751 0.130624
O 5.961535 3.127504 -1.075750
O 6.833280 1.173263 -0.763395
O -6.858031 -0.476702 0.147958
N 0.706292 -0.104577 0.384926
N 5.887164 1.942923 -0.784325
N -5.681639 1.266912 -0.803397
C 2.022950 0.415202 0.168048
C 0.446565 -1.439342 -0.104063
C 3.145025 -0.430575 0.184251
C 1.425576 -2.439252 -0.026922
C -1.863506 0.756520 0.919993
C 2.192049 1.794048 -0.097423
C -0.790478 -1.725499 -0.708683
C 4.408509 0.046691 -0.139711
C 1.184099 -3.715305 -0.530557
C 4.560425 1.410915 -0.435543
C 3.455161 2.285720 -0.394498
C -1.035550 -3.015530 -1.187725
C -2.910648 -0.102940 1.293369
C -2.107833 1.781348 -0.006156
C -0.058128 -4.012210 -1.100139
C -4.176458 0.037522 0.739368
C -3.366382 1.940105 -0.572096
C -4.415873 1.062305 -0.199893
C -6.858493 0.481457 -0.589292
C -8.045286 0.968916 -1.362974
H 1.341667 2.478433 -0.041166
H -1.546292 -0.954529 -0.841639
H 5.280594 -0.626706 -0.168819
H 1.970416 -4.477611 -0.490320
H 3.606110 3.351679 -0.606116
H -1.999456 -3.240903 -1.646711
H -2.728496 -0.896492 2.032310
H -1.302695 2.470548 -0.286442
H -0.257813 -5.011158 -1.483881
H -4.985790 -0.642275 1.036960
H -3.537363 2.739670 -1.289669
H -5.746878 2.060098 -1.449188
H -8.343374 1.991038 -1.088127
H -8.918352 0.322203 -1.156993
H -7.887624 0.942949 -2.450613


%chk=000262326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262326

0 1
S -0.224897 0.958779 1.279904
S 2.758669 -2.050862 1.051999
O 0.313507 2.497057 1.389017
O -0.097836 -0.088614 2.532921
O 3.931083 -3.172011 0.668730
O 6.630353 2.864307 -0.529336
O 7.214837 0.795715 0.240828
O -6.936048 -0.864494 0.251221
N 0.853701 0.121379 -0.483089
N 6.343196 1.663529 -0.148810
N -6.016308 1.147998 -0.535952
C 2.209000 0.476949 -0.256691
C 0.510750 -1.255242 -0.590871
C 3.221076 -0.398546 0.237580
C 1.285667 -2.344552 -0.103203
C -2.006002 0.987043 0.716857
C 2.598441 1.793694 -0.641258
C -0.651341 -1.564849 -1.357073
C 4.572801 -0.044794 0.265104
C 0.976491 -3.679532 -0.398301
C 4.915913 1.257790 -0.161496
C 3.942849 2.191039 -0.586766
C -0.999181 -2.902170 -1.625022
C -2.846091 -0.078282 1.083375
C -2.445277 2.087022 -0.041916
C -0.179169 -3.961957 -1.164368
C -4.194791 -0.049864 0.676183
C -3.791689 2.112539 -0.443194
C -4.674248 1.047921 -0.094764
C -7.071097 0.233901 -0.355183
C -8.392849 0.697877 -0.960492
H 1.822536 2.470797 -1.006345
H -1.236780 -0.732211 -1.759325
H 5.342990 -0.747404 0.600780
H 1.641289 -4.477484 -0.048526
H 4.257963 3.193681 -0.885026
H -1.893956 -3.120551 -2.216771
H -2.462423 -0.902012 1.693508
H -1.763131 2.907113 -0.284689
H -0.434460 -4.999680 -1.402167
H -4.879744 -0.855642 0.943558
H -4.162436 2.964767 -1.025751
H -6.248849 2.000920 -1.051498
H -8.743021 1.633697 -0.486766
H -9.147734 -0.083515 -0.795100
H -8.299448 0.876856 -2.047715


