%chk=000230702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230702

0 1
S -0.053846 -1.470336 0.666088
O -1.928704 -1.142589 -1.380310
O 3.382222 -0.371333 2.467029
O 1.283144 0.131515 2.600164
N 2.301244 -0.094254 1.973964
C -1.424896 -0.387139 0.757218
C 1.151594 -0.522674 -0.206717
C 2.240671 0.006663 0.490958
C -2.834348 1.157747 1.973682
C 3.220274 0.785159 -1.578266
C -2.333458 -0.365026 -0.319178
C -1.667030 0.374960 1.893576
C 3.287069 0.645809 -0.181660
C 1.082246 -0.381136 -1.592655
C 2.110228 0.276041 -2.274332
C -3.737318 1.161227 0.900442
C -3.499489 0.406548 -0.253469
C -3.097834 1.967039 3.201090
C 4.329997 1.470836 -2.302428
C -2.846392 -1.279893 -2.494311
H -0.946643 0.365977 2.720867
H 4.146731 1.025634 0.375152
H 0.218300 -0.783114 -2.135140
H 2.051086 0.388389 -3.356950
H -4.644444 1.763651 0.959222
H -4.211606 0.429797 -1.070769
H -3.304226 1.317495 4.064856
H -2.230800 2.589836 3.466008
H -3.955890 2.641395 3.090675
H 5.288858 0.951746 -2.148925
H 4.166149 1.523169 -3.387033
H 4.463412 2.504376 -1.948493
H -2.991031 -0.315285 -2.987827
H -3.792988 -1.713121 -2.158264
H -2.306982 -1.982311 -3.142962


%chk=000230702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230702

0 1
S -0.016095 -1.535601 0.916838
O -1.692948 -0.618012 -1.433096
O 3.154316 1.475809 2.165545
O 0.950390 0.922900 2.335573
N 2.064259 0.959428 1.690852
C -1.468311 -0.395954 0.953558
C 1.235748 -0.644956 -0.115546
C 2.117559 0.381937 0.324564
C -3.100623 0.860627 2.309828
C 3.306801 0.406203 -1.828234
C -2.198303 -0.098909 -0.231801
C -1.915365 0.087126 2.196929
C 3.131848 0.896118 -0.515398
C 1.434213 -1.142225 -1.425089
C 2.443043 -0.629498 -2.267354
C -3.811258 1.153253 1.123260
C -3.371228 0.687652 -0.137234
C -3.566475 1.363733 3.664895
C 4.392248 0.970614 -2.725646
C -2.441947 -0.330721 -2.658729
H -1.315712 -0.132276 3.085781
H 3.784930 1.676381 -0.112181
H 0.765768 -1.933318 -1.774831
H 2.557628 -1.037232 -3.278306
H -4.723300 1.759763 1.176301
H -3.948802 0.936927 -1.032298
H -3.869166 0.527780 4.323932
H -2.761560 1.913462 4.186599
H -4.431411 2.042479 3.567393
H 5.393228 0.831931 -2.276843
H 4.394571 0.481186 -3.714117
H 4.256323 2.056272 -2.885154
H -2.486921 0.757691 -2.857124
H -3.468306 -0.743613 -2.609830
H -1.879845 -0.830160 -3.461732


