%chk=000299469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299469

0 1
S -4.359539 0.436636 -0.375030
O -4.136188 1.657116 -1.123693
O -5.470458 -0.435932 -0.701156
O 2.013345 -2.465061 -0.366922
O 2.558867 2.798168 -0.776317
N -4.564867 0.897473 1.272847
C -0.476890 -0.906721 -0.339614
C -1.594313 -0.021324 -0.463270
C 0.855102 -0.369581 -0.345931
C -2.917945 -0.556013 -0.385791
C 1.045916 0.992605 -0.495846
C -1.343716 1.369838 -0.678259
C 2.059211 -1.262053 -0.206652
C 3.358329 -0.605277 0.141165
C -0.065141 1.860610 -0.693028
C 3.529731 0.782806 0.007133
C 2.399617 1.637512 -0.463397
C -0.732456 -2.313425 -0.223455
C -3.115772 -1.914392 -0.295804
C -2.012242 -2.805072 -0.217260
C 4.423411 -1.398333 0.580556
C 4.761369 1.370258 0.309643
C -4.878051 -0.204129 2.210680
C -3.601222 1.889932 1.797961
C 5.654207 -0.805729 0.894193
C 5.823295 0.572991 0.758269
H -2.185488 2.055362 -0.879792
H 0.133328 2.925734 -0.865614
H 0.117524 -3.008665 -0.154030
H -4.130554 -2.339379 -0.285238
H -2.199542 -3.877448 -0.153376
H 4.288677 -2.480699 0.669005
H 4.886557 2.450817 0.188911
H -5.697484 -0.820550 1.790557
H -5.260562 0.215104 3.158984
H -4.020990 -0.853358 2.449598
H -3.549757 2.751373 1.103205
H -2.585485 1.494800 1.959949
H -3.967270 2.289664 2.760893
H 6.480878 -1.427772 1.239952
H 6.782669 1.034114 0.996773


%chk=000299469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299469

0 1
S -4.445793 0.462633 -0.514794
O -4.165720 1.842698 -1.328829
O -5.606763 -0.577198 -0.971804
O 2.099857 -2.545587 0.290275
O 2.603387 2.908480 -0.229792
N -4.957367 1.001206 1.229309
C -0.394808 -0.955853 -0.145889
C -1.516256 -0.034291 -0.329191
C 0.955153 -0.411589 -0.066177
C -2.831268 -0.602121 -0.384075
C 1.141944 0.989621 -0.189947
C -1.264504 1.371765 -0.468799
C 2.165484 -1.280532 0.145462
C 3.517040 -0.629521 0.192747
C 0.032244 1.861340 -0.398531
C 3.681507 0.776242 0.063333
C 2.492729 1.645498 -0.124890
C -0.679435 -2.363276 -0.065542
C -3.087536 -1.966518 -0.318392
C -1.983135 -2.853005 -0.162038
C 4.658822 -1.449180 0.374100
C 4.974957 1.351163 0.115159
C -5.201043 -0.177171 2.091546
C -4.048793 2.029279 1.782749
C 5.944876 -0.874234 0.423877
C 6.104842 0.529072 0.294282
H -2.103099 2.043118 -0.675670
H 0.244241 2.928638 -0.509717
H 0.157806 -3.048771 0.067594
H -4.114225 -2.335975 -0.413068
H -2.164395 -3.931546 -0.116895
H 4.510824 -2.528634 0.472031
H 5.064618 2.437057 0.012774
H -5.817099 -0.904211 1.537322
H -5.788294 0.171547 2.960264
H -4.274483 -0.668385 2.464757
H -3.873453 2.804251 1.018817
H -3.077781 1.631795 2.153803
H -4.577666 2.505653 2.628454
H 6.823196 -1.513370 0.562732
H 7.105489 0.971912 0.333449


