%chk=000264721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264721

0 1
S -0.659550 1.552492 -0.411814
O -1.147071 2.315792 0.731543
O -0.856690 2.123547 -1.736894
O 5.748732 -0.424930 -1.611270
N -3.832173 0.226365 -0.683980
N -1.388718 0.026174 -0.377950
N 5.072213 0.276075 0.482746
C -2.797033 -1.947580 -0.205224
C -2.496718 -2.390357 1.244023
C -1.856631 -2.801006 -1.085107
C -2.060358 -3.864567 1.144510
C -1.686361 -4.130868 -0.328524
C -2.594495 -0.439044 -0.399170
C -4.888684 0.150880 0.385781
C -3.867436 1.640012 -1.175822
C -5.020524 1.572215 0.980884
C -4.238249 2.508243 0.039124
C 1.002273 1.175752 -0.174873
C 1.786380 0.732220 -1.246246
C 1.573713 1.317016 1.095445
C 3.132933 0.425939 -1.061358
C 2.917094 1.019312 1.303829
C 3.703327 0.567740 0.216882
C 6.029130 -0.204513 -0.454158
C 7.394629 -0.405183 0.138192
H -3.850555 -2.219016 -0.464279
H -1.680745 -1.778922 1.674048
H -3.370445 -2.263794 1.900488
H -2.268959 -2.944028 -2.095259
H -0.875975 -2.302131 -1.210306
H -1.206543 -4.064584 1.812813
H -2.872528 -4.537394 1.466907
H -2.334834 -4.912719 -0.758654
H -0.651959 -4.501909 -0.416682
H -5.832723 -0.164816 -0.107009
H -4.650436 -0.598699 1.161681
H -4.665331 1.679476 -1.951797
H -2.940472 1.959588 -1.694347
H -4.605884 1.616068 2.002423
H -6.078410 1.870377 1.055889
H -4.826019 3.390476 -0.253407
H -3.321177 2.891268 0.540111
H 1.344926 0.630816 -2.244941
H 0.960457 1.673627 1.932970
H 3.739184 0.079344 -1.906129
H 3.347197 1.136973 2.294358
H 5.379901 0.434686 1.445880
H 7.401271 -1.146651 0.948495
H 8.085905 -0.778612 -0.638306
H 7.829917 0.526550 0.524584


%chk=000264721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264721

0 1
S -0.474426 1.673583 -0.006790
O -0.714643 2.532435 1.374742
O -0.806106 2.385716 -1.448304
O 5.951960 -0.212676 -2.224426
N -3.568356 0.469608 -0.123984
N -1.160116 -0.055602 0.089040
N 5.437381 0.229941 0.025157
C -2.720187 -1.860213 0.060000
C -2.996730 -2.333891 1.525960
C -1.547056 -2.768868 -0.381565
C -2.672055 -3.864152 1.527828
C -1.961585 -4.157433 0.164550
C -2.470053 -0.343613 -0.020144
C -4.959497 -0.042701 -0.352135
C -3.568740 1.964898 0.006751
C -5.797908 1.233302 -0.589117
C -5.053623 2.310550 0.234883
C 1.338124 1.192550 -0.021269
C 1.952877 0.898756 -1.247258
C 2.029944 1.185219 1.199992
C 3.324608 0.571040 -1.264453
C 3.398688 0.860427 1.182971
C 4.051885 0.546289 -0.042003
C 6.307700 -0.120099 -1.013989
C 7.746827 -0.381628 -0.574616
H -3.597842 -2.110243 -0.566571
H -2.312246 -1.790845 2.202615
H -4.029561 -2.119766 1.855829
H -1.392327 -2.757156 -1.474800
H -0.616343 -2.410717 0.089928
H -2.014792 -4.113048 2.379978
H -3.587234 -4.473304 1.638325
H -2.666792 -4.645662 -0.535442
H -1.096426 -4.834136 0.277782
H -4.994819 -0.723004 -1.221089
H -5.315327 -0.597534 0.537892
H -3.169833 2.424959 -0.916468
H -2.921975 2.277942 0.845500
H -6.848198 1.096273 -0.281642
H -5.784780 1.501337 -1.661217
H -5.286159 3.337747 -0.090299
H -5.310128 2.221793 1.306715
H 1.376353 0.947791 -2.176290
H 1.511588 1.451778 2.126076
H 3.838904 0.336744 -2.197450
H 3.963302 0.852338 2.123812
H 5.847662 0.267047 0.960810
H 7.905569 -0.312881 0.515683
H 8.046937 -1.387003 -0.915684
H 8.411050 0.343810 -1.075715


