%chk=000290163.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290163

0 1
S 0.789660 1.515012 -0.348102
O -0.824010 -1.989544 -0.136301
O -1.625283 2.587037 -0.123645
N -1.491525 0.234883 -0.122568
C 0.891732 -0.302761 -0.401193
C 1.834251 -0.805570 0.686739
C -0.522452 -0.825106 -0.207644
C 3.261489 -0.431653 0.384747
C -1.000288 1.572936 -0.175792
C -2.915596 -0.038681 0.017049
C 4.003214 -1.188103 -0.535882
C 3.855655 0.666796 1.022043
C -3.344145 -1.120810 0.802292
C -3.841744 0.791027 -0.636708
C 5.327715 -0.843957 -0.816541
C 5.181609 1.006246 0.736885
C 5.919137 0.253493 -0.181783
C -4.713318 -1.369302 0.925131
C -5.205921 0.528393 -0.495220
C -5.644878 -0.548844 0.281513
H 1.261777 -0.615324 -1.413858
H 1.739764 -1.915212 0.769914
H 1.529227 -0.423514 1.685487
H 3.550953 -2.046206 -1.029681
H 3.288216 1.259665 1.738383
H -2.623252 -1.774577 1.295665
H -3.508594 1.640646 -1.234569
H 5.901294 -1.432998 -1.530939
H 5.639817 1.861047 1.232896
H 6.951161 0.519886 -0.402194
H -5.053254 -2.210757 1.528900
H -5.930639 1.170494 -0.995962
H -6.709973 -0.747941 0.384637


%chk=000290163-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290163

0 1
S 0.783372 1.694452 -0.351205
O -0.812933 -1.959207 -0.382380
O -1.755695 2.645235 0.068294
N -1.520015 0.286437 -0.140028
C 0.876201 -0.195354 -0.460497
C 1.817722 -0.815602 0.609431
C -0.553284 -0.732541 -0.331331
C 3.279613 -0.467056 0.373704
C -1.050621 1.636939 -0.104018
C -2.933411 -0.012010 0.019394
C 4.051208 -1.214021 -0.554101
C 3.890284 0.619053 1.050431
C -3.334034 -1.024898 0.920881
C -3.889956 0.709106 -0.731376
C 5.401550 -0.882691 -0.802065
C 5.241363 0.953753 0.804136
C 6.000772 0.204506 -0.123565
C -4.706904 -1.317982 1.065496
C -5.260501 0.413526 -0.570692
C -5.673281 -0.600232 0.324130
H 1.247208 -0.447408 -1.468766
H 1.667494 -1.910739 0.552655
H 1.488135 -0.482070 1.610106
H 3.595456 -2.066003 -1.075092
H 3.304652 1.204394 1.769330
H -2.586424 -1.583578 1.489570
H -3.571023 1.495437 -1.420604
H 5.986474 -1.472341 -1.516828
H 5.700035 1.794595 1.336247
H 7.048830 0.461720 -0.313056
H -5.019184 -2.105131 1.759862
H -6.003355 0.974801 -1.147147
H -6.737948 -0.828389 0.442782


