%chk=000262778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262778

0 1
S 0.266241 -1.025962 -1.217435
O 4.783843 1.239905 -1.194171
O 4.586268 -0.371890 0.383068
C -1.032339 -0.406963 -0.042332
C -0.578333 0.936305 0.484084
C -2.215057 -0.296439 -0.992072
C -1.251094 -1.452920 1.031320
C 1.892163 -0.898090 -0.417589
C -0.573713 1.231753 1.854112
C -3.033141 0.844102 -0.998241
C -0.192106 -1.863908 1.859893
C -0.175197 1.931706 -0.427332
C -2.513391 -1.356111 -1.867791
C -2.519620 -2.018713 1.237580
C 2.673087 0.250685 -1.029268
C -0.137477 2.481546 2.308582
C -4.106433 0.940168 -1.888163
C -0.386868 -2.837812 2.840336
C 0.257440 3.176834 0.028690
C -3.582594 -1.250973 -2.761335
C -2.714864 -2.992489 2.222068
C 0.284445 3.454167 1.400561
C -4.379141 -0.102167 -2.778230
C -1.649780 -3.410386 3.022879
C 4.081647 0.280982 -0.499727
C 6.193847 1.441525 -0.861016
C 7.030740 0.338164 -1.473724
H 2.408460 -1.868708 -0.580024
H 1.797140 -0.782691 0.685921
H -0.918509 0.496786 2.583310
H -2.842162 1.665005 -0.305552
H 0.801236 -1.416702 1.749491
H -0.210964 1.733772 -1.501671
H -1.929531 -2.279997 -1.851899
H -3.372973 -1.704642 0.634383
H 2.186961 1.232731 -0.815450
H 2.693636 0.187660 -2.141846
H -0.131723 2.693261 3.376965
H -4.731045 1.832061 -1.885725
H 0.448662 -3.151216 3.464805
H 0.570506 3.937188 -0.685434
H -3.796028 -2.071248 -3.445229
H -3.704609 -3.424764 2.362403
H 0.626639 4.424458 1.755078
H -5.209492 -0.022465 -3.476878
H -1.800836 -4.172428 3.784468
H 6.291156 1.488600 0.238155
H 6.374487 2.431974 -1.317144
H 6.815131 0.214112 -2.542667
H 6.829750 -0.628676 -0.987479
H 8.102740 0.541911 -1.369427


%chk=000262778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262778

0 1
S 0.322927 -1.071149 -1.643243
O 4.895272 1.369765 -0.881125
O 4.362138 -0.232721 0.731946
C -1.000612 -0.444816 -0.327813
C -0.502756 0.937835 0.126050
C -2.340454 -0.412260 -1.105929
C -1.181559 -1.450492 0.838421
C 1.943519 -0.931466 -0.666854
C 0.089625 1.142047 1.397943
C -3.289147 0.623011 -0.903167
C -0.549298 -2.714790 0.891100
C -0.530252 2.032184 -0.784065
C -2.701100 -1.500211 -1.943928
C -2.086118 -1.107288 1.882424
C 2.754003 0.308220 -1.074765
C 0.627347 2.401013 1.756736
C -4.551459 0.582691 -1.536767
C -0.801261 -3.609316 1.957893
C -0.004979 3.289276 -0.425621
C -3.957542 -1.537042 -2.584527
C -2.338241 -1.996518 2.946556
C 0.579333 3.482075 0.850993
C -4.891492 -0.494365 -2.385016
C -1.693783 -3.255691 2.992189
C 4.057479 0.414480 -0.297829
C 6.211862 1.605260 -0.209180
C 7.264419 0.617486 -0.720309
H 2.498604 -1.862089 -0.870972
H 1.700404 -0.916088 0.406324
H 0.132994 0.318414 2.117227
H -3.044592 1.467457 -0.250635
H 0.128353 -3.007001 0.082309
H -0.944948 1.881920 -1.786279
H -1.994738 -2.324312 -2.092237
H -2.604738 -0.142399 1.855314
H 2.166418 1.226439 -0.888427
H 2.981513 0.306733 -2.155784
H 1.086464 2.529019 2.743339
H -5.268078 1.393873 -1.364596
H -0.298585 -4.582991 1.974848
H -0.039300 4.116130 -1.143927
H -4.209596 -2.383198 -3.233665
H -3.041390 -1.709821 3.736781
H 0.994995 4.457282 1.127846
H -5.869198 -0.523603 -2.878783
H -1.890218 -3.949047 3.817540
H 6.071239 1.512167 0.882187
H 6.455995 2.646103 -0.475733
H 7.354225 0.671461 -1.819047
H 7.003755 -0.414640 -0.432077
H 8.249755 0.859975 -0.280365


