%chk=000193933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193933

0 1
S 0.327269 -0.223228 0.354908
O 1.540973 2.594962 0.884114
O 0.004673 2.696767 -0.747077
C 2.000623 -0.081991 -0.418845
C 2.971127 -0.151515 0.766658
C 2.261445 -1.176349 -1.451797
C 3.050172 -1.552850 1.383821
C 2.328288 -2.570859 -0.813234
C 3.359628 -2.615899 0.321728
C 2.005549 1.318125 -1.061798
C -0.855245 -0.373019 -1.031449
C 1.044515 2.226349 -0.344863
C -2.188884 -0.203503 -0.379986
C -2.697300 1.086849 -0.155298
C -2.938755 -1.324689 0.008582
C -3.946875 1.249300 0.445549
C -4.189075 -1.153966 0.609588
C -4.695894 0.130717 0.827437
H 2.689377 0.595922 1.541699
H 3.980979 0.154714 0.423959
H 3.224654 -0.965747 -1.963475
H 1.495886 -1.166600 -2.250540
H 2.097310 -1.799940 1.894806
H 3.826409 -1.566244 2.172097
H 2.580219 -3.321395 -1.585474
H 1.331190 -2.855984 -0.420809
H 4.377037 -2.460416 -0.084284
H 3.365111 -3.620314 0.785232
H 3.027151 1.755862 -1.045063
H 1.720461 1.275523 -2.134992
H -0.742948 -1.351622 -1.530635
H -0.667771 0.415743 -1.787804
H 0.897659 3.150337 1.401625
H -2.106588 1.962144 -0.445139
H -2.547076 -2.327019 -0.150766
H -4.338007 2.250582 0.617879
H -4.768126 -2.025085 0.910083
H -5.669460 0.260736 1.294563


%chk=000193933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193933

0 1
S 0.285505 -0.442645 0.538648
O 1.973840 2.800381 0.774355
O 0.142872 2.877320 -0.643442
C 1.980680 -0.133881 -0.353982
C 3.046050 -0.152379 0.776868
C 2.272896 -1.246598 -1.394711
C 3.250303 -1.550776 1.405133
C 2.476579 -2.640127 -0.759884
C 3.576099 -2.609973 0.327517
C 1.943850 1.244844 -1.086969
C -0.967484 -0.355014 -0.914689
C 1.238587 2.355766 -0.331619
C -2.360550 -0.198559 -0.349921
C -2.859438 1.092060 -0.029236
C -3.185772 -1.330571 -0.128641
C -4.161169 1.243280 0.496439
C -4.488184 -1.179379 0.399209
C -4.979575 0.108830 0.712909
H 2.788091 0.595504 1.546824
H 4.004541 0.179792 0.322534
H 3.196533 -0.958435 -1.943916
H 1.459957 -1.280802 -2.145947
H 2.334584 -1.851360 1.950075
H 4.066270 -1.494813 2.151340
H 2.733356 -3.370136 -1.551915
H 1.523310 -2.969476 -0.302084
H 4.553298 -2.369501 -0.142183
H 3.679729 -3.609688 0.791189
H 2.987394 1.553858 -1.291260
H 1.425259 1.142660 -2.055525
H -0.865971 -1.282022 -1.502027
H -0.693207 0.519126 -1.525676
H 1.449778 3.502407 1.248526
H -2.220256 1.967315 -0.195571
H -2.805941 -2.330912 -0.370593
H -4.538787 2.243960 0.735712
H -5.117262 -2.061720 0.563238
H -5.990063 0.228063 1.120276


