%chk=000244715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244715

0 1
S 1.195677 2.586725 0.803361
S 2.824421 3.687569 0.240259
O 0.480789 0.136010 -1.748975
O 5.823372 2.375546 1.304314
O 1.017475 2.129925 -2.629398
O 6.768047 2.667421 -0.706207
O -3.388180 1.091627 -1.063718
O 2.835167 -0.468221 -1.111160
N -1.312212 0.937166 -0.072411
N 3.899514 0.848346 0.449399
N -2.926156 -0.788592 0.242222
N 2.192050 -0.654785 1.126269
C -0.789689 1.995078 -0.964632
C 4.520395 1.683226 -0.599750
C -0.240287 3.158013 -0.138574
C 3.622920 2.812557 -1.109608
C 0.325996 1.477629 -1.880645
C 5.824162 2.282643 -0.063264
C -2.618157 0.440520 -0.376402
C 2.941630 -0.111610 0.058251
C -4.226230 -1.391405 0.256554
C 1.196778 -1.674812 0.994856
C -4.365087 -2.587617 0.992246
C 0.347564 -1.883593 2.102452
C -5.325259 -0.842427 -0.425322
C 1.052378 -2.449473 -0.168846
C -5.607273 -3.221613 1.034221
C -0.628226 -2.879168 2.036948
C -6.557327 -1.494787 -0.367322
C 0.058744 -3.427616 -0.217311
C -6.705778 -2.681521 0.358197
C -0.782787 -3.647298 0.879129
H -1.634784 2.378342 -1.626357
H 4.789382 1.008960 -1.475247
H -1.006472 3.513761 0.586887
H 0.004695 4.023979 -0.788424
H 2.879692 2.416900 -1.848504
H 4.203692 3.560502 -1.697118
H -0.596246 0.286443 0.273542
H 3.894167 1.259198 1.389712
H -2.192711 -1.289299 0.756206
H 2.326576 -0.282464 2.070140
H -3.520240 -3.017732 1.522465
H 0.454316 -1.292706 3.009351
H -5.219941 0.085622 -0.997814
H 1.713008 -2.290884 -1.026674
H 1.310021 -0.229678 -2.214300
H 6.665687 2.772758 1.662946
H -5.719473 -4.145780 1.600562
H -1.269052 -3.059130 2.901125
H -7.411555 -1.070684 -0.896105
H -0.058263 -4.028938 -1.120724
H -7.670338 -3.181365 0.396100
H -1.545092 -4.422968 0.831898


%chk=000244715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244715

0 1
S 0.590582 2.475773 0.514528
S 2.323852 3.916273 0.135148
O 0.923406 -0.210534 -2.071521
O 5.276806 2.442152 2.194279
O 1.371931 1.877711 -2.995437
O 6.192819 3.628936 0.416566
O -3.442779 1.457411 -0.928999
O 3.263897 -0.397498 -1.075751
N -1.371244 0.402343 -1.105699
N 3.704094 0.974991 0.747503
N -3.136755 -0.751486 -0.113349
N 2.161864 -0.751758 0.994518
C -0.761418 1.512469 -1.838906
C 4.457471 1.948610 -0.047222
C -0.570900 2.785531 -0.969792
C 3.563612 2.910966 -0.881878
C 0.608391 1.086930 -2.390940
C 5.404300 2.761134 0.835712
C -2.710278 0.437251 -0.729286
C 3.058399 -0.086902 0.158095
C -4.420214 -1.049021 0.419174
C 1.437504 -1.946246 0.714985
C -4.611535 -2.349298 0.964750
C 0.241436 -2.174281 1.447771
C -5.495948 -0.119911 0.434333
C 1.881835 -2.911635 -0.225426
C -5.853310 -2.715460 1.521193
C -0.499945 -3.358634 1.245199
C -6.732992 -0.503987 0.995473
C 1.122616 -4.083561 -0.427327
C -6.925680 -1.793381 1.542814
C -0.066807 -4.319315 0.301212
H -1.414671 1.815695 -2.683621
H 5.084333 1.401554 -0.780479
H -1.543721 3.087789 -0.552665
H -0.126117 3.601216 -1.560187
H 3.018723 2.371135 -1.670623
H 4.201489 3.678596 -1.356624
H -0.784959 -0.434106 -1.019499
H 3.665130 1.138452 1.756026
H -2.444652 -1.501541 -0.029796
H 1.835003 -0.223998 1.807639
H -3.787690 -3.075329 0.942106
H -0.102609 -1.431917 2.179292
H -5.348095 0.873484 0.007280
H 2.799833 -2.741157 -0.791847
H 1.937695 -0.394197 -1.955913
H 5.883727 3.013097 2.737167
H -5.983364 -3.722011 1.934727
H -1.404428 -3.534636 1.839116
H -7.556709 0.219069 1.002099
H 1.469993 -4.822287 -1.157713
H -7.891597 -2.076307 1.974267
H -0.640825 -5.237875 0.142328


