%chk=000294594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294594

0 1
S -1.793241 1.191996 -0.643830
O -3.266236 1.457172 2.117578
O -4.928606 1.211596 0.626651
O 4.821773 -1.402485 -1.259266
O 4.601806 -2.343345 0.675694
N -4.211895 -1.634166 1.070753
N 4.236655 -1.577371 -0.202332
C -2.524057 -0.500429 -0.512948
C -3.209562 -0.560949 0.879860
C -1.463326 -1.570928 -0.658947
C -3.518715 -0.509947 -1.663258
C -0.602756 1.402330 0.709485
C -3.931103 0.762731 1.130716
C 0.645462 0.629024 0.463566
C 1.362773 0.791907 -0.736117
C 1.124556 -0.256175 1.447516
C 2.534919 0.074724 -0.957872
C 2.297865 -0.976769 1.236202
C 2.996617 -0.811353 0.030085
H -2.424720 -0.702657 1.679524
H -0.763042 -1.603969 0.185876
H -0.855639 -1.419675 -1.564723
H -1.903692 -2.573116 -0.748081
H -3.046147 -0.265335 -2.626688
H -3.981987 -1.495640 -1.795236
H -4.338607 0.216340 -1.517992
H -1.080059 1.175223 1.688397
H -0.390341 2.497394 0.741455
H -3.795953 -2.546677 0.909132
H -4.997348 -1.528250 0.430072
H 0.995505 1.479135 -1.502279
H 0.583055 -0.376435 2.386259
H 3.101056 0.192071 -1.889027
H 2.681112 -1.667110 1.996211
H -3.700020 2.327235 2.331062


%chk=000294594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294594

0 1
S -1.827603 1.389429 -0.875841
O -3.283079 1.351261 2.303718
O -5.122761 0.812100 0.997170
O 4.933534 -1.648034 -1.011116
O 4.564484 -2.450659 1.092517
N -3.846058 -1.800292 1.081154
N 4.249262 -1.707323 0.083364
C -2.606154 -0.376491 -0.656348
C -3.075542 -0.580968 0.837878
C -1.589080 -1.472040 -1.037521
C -3.784112 -0.357832 -1.655613
C -0.525572 1.577018 0.508340
C -3.942139 0.581944 1.336090
C 0.706754 0.709951 0.379687
C 1.500431 0.731689 -0.799953
C 1.106832 -0.122468 1.459411
C 2.662299 -0.052461 -0.904965
C 2.266549 -0.918566 1.373863
C 3.028491 -0.872982 0.187018
H -2.170188 -0.616425 1.468996
H -0.735290 -1.510125 -0.339226
H -1.192731 -1.290622 -2.050791
H -2.083858 -2.463012 -1.036143
H -3.413884 -0.173972 -2.679851
H -4.284657 -1.344083 -1.653170
H -4.530829 0.412061 -1.402434
H -1.029489 1.454828 1.479570
H -0.262886 2.645454 0.399283
H -3.342681 -2.683457 1.127119
H -4.793829 -1.828632 0.705464
H 1.184903 1.357672 -1.641493
H 0.509631 -0.138320 2.378446
H 3.285519 -0.046285 -1.803082
H 2.588650 -1.563314 2.195827
H -3.888813 2.081058 2.610129


