%chk=000251373.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251373

0 1
S 4.823872 -2.099624 1.057735
S -0.564728 3.244384 1.088542
O 3.576404 -0.973291 0.838701
O -0.246123 3.455330 -0.573459
O 6.029248 -1.429268 0.643584
O 4.410236 -3.309869 0.407641
O -0.708607 4.560394 1.639653
O 0.508806 2.398698 1.565936
N 1.554102 1.018083 -1.090128
N -6.299622 -3.447488 0.091269
N -4.871753 0.708500 0.074401
C 2.629460 0.982484 -0.059173
C 1.461597 2.296309 -1.838930
C 0.393590 0.247282 -0.883874
C 3.613777 -0.160048 -0.354116
C 1.118690 3.536694 -0.991619
C 0.438224 -0.919451 -0.071316
C -0.817498 0.548327 -1.560243
C -0.674098 -1.733916 0.049533
C -1.930164 -0.266349 -1.415194
C -1.889213 -1.407731 -0.592769
C -3.055177 -2.257176 -0.397411
C 4.719099 -2.241161 2.781235
C -2.063203 2.411187 0.974420
C -4.317247 -1.806334 -0.181125
C -5.416291 -2.711725 -0.029616
C -4.639266 -0.417947 -0.050194
H 3.168937 1.952593 -0.024195
H 2.197244 0.860773 0.973213
H 2.439787 2.459867 -2.349476
H 0.701265 2.190598 -2.651971
H 3.300318 -0.790450 -1.208925
H 4.645333 0.208816 -0.512494
H 1.799596 3.653721 -0.127929
H 1.159695 4.454749 -1.614041
H 1.357485 -1.188574 0.458101
H -0.881457 1.436755 -2.191760
H -0.615375 -2.632621 0.666757
H -2.846393 -0.019959 -1.956380
H -2.863592 -3.340600 -0.414208
H 5.637626 -1.924610 3.302488
H 4.512897 -3.267798 3.125560
H 3.913555 -1.621307 3.215602
H -2.791028 2.664610 1.764913
H -1.966455 1.309507 0.999898
H -2.617756 2.607034 0.034265


%chk=000251373-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251373

0 1
S 5.510409 -0.295647 0.945122
S -0.171860 3.606379 1.114973
O 4.130570 -1.452416 1.540917
O 0.377779 3.155004 -0.640738
O 5.507174 1.070489 1.808878
O 5.398134 -0.216098 -0.675293
O 0.075603 5.175300 1.403690
O 0.464384 2.504501 2.123338
N 1.250519 0.307570 -0.156302
N -7.360217 -3.023810 -0.940854
N -5.258656 0.183329 -3.219201
C 2.133166 -0.046252 0.972092
C 1.839643 1.226426 -1.150274
C -0.045553 -0.188112 -0.251870
C 2.941397 -1.336253 0.676635
C 1.782240 2.710220 -0.727854
C -0.524657 -1.193061 0.656984
C -0.962557 0.266091 -1.262976
C -1.819578 -1.703695 0.545001
C -2.255074 -0.254670 -1.365416
C -2.734370 -1.262563 -0.465569
C -4.049159 -1.863961 -0.488690
C 6.929517 -1.424909 1.489720
C -2.007146 3.277568 0.778104
C -5.157106 -1.622050 -1.304083
C -6.360779 -2.385230 -1.108277
C -5.203844 -0.638329 -2.348576
H 2.839908 0.787866 1.131360
H 1.557589 -0.124211 1.907859
H 2.906958 0.958748 -1.289955
H 1.348765 1.093586 -2.127060
H 2.374836 -2.257538 0.902985
H 3.244202 -1.363141 -0.389678
H 2.297923 2.850625 0.243113
H 2.278468 3.348449 -1.481930
H 0.121399 -1.577778 1.450013
H -0.670011 1.061558 -1.951665
H -2.146246 -2.473262 1.255670
H -2.903872 0.131510 -2.155669
H -4.210366 -2.645989 0.267008
H 6.773102 -1.599889 2.562330
H 7.856019 -0.872720 1.280284
H 6.831082 -2.341511 0.894846
H -2.531038 3.506076 1.716542
H -2.078846 2.222347 0.484620
H -2.284054 3.958852 -0.037249


