%chk=000245641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245641

0 1
S 0.803717 -0.403327 -0.042095
O 0.628280 -0.235173 1.380472
O 0.820077 0.747579 -0.923039
O 4.593913 -1.036968 -1.986967
O 5.765273 -1.614664 -0.167589
O 4.265415 1.392277 1.929749
O -6.399304 0.840253 -1.043150
O -6.103558 0.993218 1.094232
N 3.435782 0.863858 -0.125489
N -5.730643 0.704632 -0.030843
C 2.283066 -1.334828 -0.349788
C 3.530355 -0.578771 0.120335
C -0.453376 -1.529197 -0.610542
C -1.813409 -0.925074 -0.463760
C 4.762502 -1.132468 -0.622630
C -2.627309 -0.741165 -1.595119
C -2.286535 -0.561199 0.809729
C 3.795541 1.792090 0.884591
C -3.906472 -0.204870 -1.457652
C -3.563193 -0.024971 0.956046
C -4.371360 0.144760 -0.180337
C 3.549856 3.220860 0.517771
H 2.379296 -1.561925 -1.437381
H 2.262464 -2.328076 0.142096
H 3.710049 -0.751181 1.231822
H -0.429861 -2.486118 -0.042126
H -0.275565 -1.837033 -1.662525
H 3.033679 1.166941 -1.019839
H -2.261538 -1.006250 -2.586884
H -1.643070 -0.675037 1.692770
H -4.550770 -0.053123 -2.331477
H -3.941816 0.265851 1.943420
H 3.775260 3.876283 1.376276
H 4.178736 3.554484 -0.319195
H 2.499608 3.406066 0.238532
H 5.395308 -1.339834 -2.494215


%chk=000245641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245641

0 1
S 0.605049 -0.486400 0.099583
O 0.423283 -0.513824 1.720061
O 0.519072 0.935334 -0.737049
O 5.177336 -0.780007 -1.322548
O 5.418654 -1.790585 0.767373
O 5.505655 1.439529 0.629738
O -6.421492 1.418168 -0.756923
O -6.595427 0.305138 1.227557
N 3.363789 1.037528 -0.116413
N -5.964985 0.616901 0.145780
C 2.371542 -1.213059 -0.341923
C 3.448917 -0.355389 0.334091
C -0.768121 -1.741593 -0.724250
C -2.109742 -1.148201 -0.507980
C 4.811698 -1.013436 0.006910
C -2.654516 -0.243968 -1.461964
C -2.840160 -1.443024 0.677140
C 4.431427 1.884044 0.111087
C -3.917390 0.338046 -1.254436
C -4.104058 -0.867704 0.898269
C -4.624415 0.011193 -0.076710
C 4.244940 3.333655 -0.302575
H 2.408986 -1.161142 -1.441173
H 2.357745 -2.244551 0.042046
H 3.354778 -0.428144 1.435422
H -0.566909 -2.671507 -0.172444
H -0.429726 -1.779430 -1.769997
H 2.461048 1.375572 -0.486453
H -2.081627 0.007678 -2.360184
H -2.411759 -2.116308 1.426608
H -4.359138 1.033644 -1.972140
H -4.686050 -1.078027 1.798940
H 4.456386 3.985482 0.562048
H 4.978716 3.583875 -1.088460
H 3.230051 3.548612 -0.676048
H 6.076844 -1.170201 -1.487788


