%chk=000243982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243982

0 1
S 7.114011 1.165091 0.230808
O -4.506731 -2.610879 -0.245740
O -2.399165 -3.070020 -0.278020
O -4.783535 3.512446 0.346802
O -6.157111 1.848206 0.180171
N -0.614078 -1.214686 -0.092366
N 0.663709 -0.686747 -0.043113
N -3.339911 -2.271196 -0.205645
N -5.034436 2.323443 0.232067
C -1.683897 -0.349996 -0.009691
C 3.026227 -0.787018 -0.040645
C -3.026164 -0.859938 -0.066229
C 1.708234 -1.472754 -0.096095
C -1.501299 1.067830 0.132785
C -4.117966 0.034172 0.015269
C -3.899657 1.396294 0.149556
C 3.966452 -1.170128 0.933033
C 3.334736 0.232807 -0.950842
C -2.571411 1.916350 0.210389
C 5.511987 0.470617 0.062497
C 5.208686 -0.541908 0.986413
C 4.584290 0.861040 -0.902806
C 1.714265 -2.963827 -0.204766
C 7.226612 2.480373 -0.995651
H -0.476567 1.456251 0.181718
H -5.148116 -0.365626 -0.029621
H -0.782074 -2.246838 -0.184103
H 3.721625 -1.951906 1.651981
H 2.599958 0.540503 -1.696220
H -2.438056 3.001305 0.320143
H 5.933754 -0.839052 1.746499
H 4.809092 1.647858 -1.620959
H 2.728352 -3.368281 -0.353225
H 1.314047 -3.444354 0.701780
H 1.119764 -3.322630 -1.059805
H 6.475218 3.263144 -0.839589
H 7.146941 2.103752 -2.021779
H 8.219614 2.942003 -0.883402


%chk=000243982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243982

0 1
S 7.407316 0.919971 -0.319036
O -4.489112 -2.673675 0.287274
O -2.246756 -3.082774 0.307088
O -4.879423 3.558204 -0.379485
O -6.277611 1.762543 -0.160455
N -0.560823 -1.124129 0.057829
N 0.716091 -0.592844 -0.022822
N -3.272950 -2.256056 0.228041
N -5.099654 2.289876 -0.236567
C -1.661161 -0.300635 -0.010011
C 3.087692 -0.882078 -0.045912
C -3.005834 -0.829860 0.069613
C 1.728807 -1.460254 0.044805
C -1.512492 1.117761 -0.163791
C -4.129104 0.022894 -0.005185
C -3.929468 1.399087 -0.157531
C 4.262016 -1.652192 0.199666
C 3.264601 0.493870 -0.381222
C -2.619986 1.956034 -0.236822
C 5.698999 0.289211 -0.225745
C 5.543423 -1.079997 0.114203
C 4.540738 1.071849 -0.472123
C 1.501782 -2.954653 0.200654
C 7.161851 2.727866 -0.758830
H -0.495910 1.510408 -0.218188
H -5.137088 -0.395111 0.055544
H -0.781141 -2.135384 0.177985
H 4.192620 -2.708313 0.477313
H 2.375774 1.100529 -0.575314
H -2.512059 3.037451 -0.353609
H 6.425923 -1.697527 0.314208
H 4.625108 2.129343 -0.739725
H 2.434535 -3.529792 0.144421
H 1.018365 -3.190868 1.169166
H 0.837365 -3.339167 -0.598010
H 6.595312 3.246861 0.029580
H 6.663085 2.827544 -1.735159
H 8.176567 3.149709 -0.820247


