%chk=000273013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273013

0 1
S -1.096287 -2.806344 -1.040589
O 2.137763 -1.179569 -1.089679
O 2.851690 -2.375031 1.840644
O 4.025114 0.787106 1.204161
O 3.570926 2.142788 -0.753836
O -4.310889 0.318584 -0.232616
N 0.211138 -0.739437 0.197695
N 0.890763 1.436389 1.207873
N -0.908406 3.071755 1.378500
N -3.101213 2.662359 0.651052
N -3.651869 -1.068779 -1.874679
C 1.492605 -1.482796 0.154937
C 2.471245 -1.107054 1.292668
C 3.690725 -0.436195 0.595712
C 3.302517 -0.326973 -0.903602
C 2.926042 1.065337 -1.437504
C -0.014945 0.584130 0.620603
C -1.001898 -1.204962 -0.371405
C -1.389722 0.912078 0.361984
C -1.981200 -0.225818 -0.287907
C -1.824075 2.207375 0.795510
C -3.379253 -0.289355 -0.761522
C 0.378471 2.654591 1.540193
C -2.149098 -3.659449 0.154932
H 1.295684 -2.589033 0.109241
H 2.046904 -0.464073 2.094418
H 4.610244 -1.053058 0.734682
H 4.063292 -0.814983 -1.552960
H 1.847314 1.277034 -1.282785
H 3.155016 1.148634 -2.516037
H 3.318196 -2.244419 2.695344
H 3.276118 1.461738 1.094730
H 4.533418 1.962985 -0.640712
H 1.074393 3.379267 1.998689
H -1.706484 -3.672045 1.158629
H -2.260838 -4.699782 -0.182037
H -3.147566 -3.210044 0.223120
H -3.855131 2.025577 0.367102
H -3.360169 3.565735 1.023326
H -2.948145 -1.566413 -2.398497
H -4.596893 -1.109654 -2.228781


%chk=000273013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273013

0 1
S -1.373104 -2.709227 -1.259099
O 2.049250 -0.333205 -1.268031
O 2.405078 -2.714176 1.046728
O 3.150249 0.945697 1.336139
O 5.192925 1.409621 -0.400183
O -4.608387 0.721401 -0.318382
N -0.055116 -0.488043 -0.156438
N 0.675726 1.644159 0.824104
N -1.098452 3.271698 1.173526
N -3.342121 2.850104 0.660130
N -4.256798 -1.396497 -1.128744
C 1.255028 -1.126295 -0.324913
C 2.091051 -1.276005 0.982782
C 3.341188 -0.376633 0.759536
C 3.466992 -0.340211 -0.786836
C 4.167267 0.929422 -1.326779
C -0.279280 0.803229 0.321587
C -1.294790 -1.036633 -0.553149
C -1.670465 1.091052 0.223106
C -2.320985 -0.091017 -0.333674
C -2.062930 2.406296 0.680945
C -3.783630 -0.225392 -0.590507
C 0.186471 2.855724 1.225228
C -1.162354 -3.764925 0.316926
H 1.071013 -2.133672 -0.741453
H 1.542067 -0.950970 1.886864
H 4.244409 -0.802107 1.229102
H 3.950869 -1.273869 -1.138283
H 3.384707 1.694481 -1.508126
H 4.689554 0.723124 -2.274124
H 3.002263 -2.884042 1.818212
H 2.182024 1.286124 1.095682
H 4.699384 1.615746 0.449566
H 0.915657 3.562298 1.632251
H -0.145839 -3.626874 0.716211
H -1.304695 -4.807712 -0.006757
H -1.928386 -3.480354 1.052325
H -4.075470 2.198425 0.304975
H -3.524272 3.793568 1.001158
H -3.630570 -2.168243 -1.380450
H -5.260032 -1.457873 -1.300558


