%chk=000215921.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215921

0 1
S 4.407657 1.051166 1.420489
O 7.872727 1.388407 -0.250398
O -1.851553 -1.458247 -1.495678
O -5.137915 -0.290898 -0.640421
O -3.872937 -1.713144 1.537669
O -2.452039 0.618782 -0.814493
N 1.682058 -0.634898 -0.692302
N 5.791417 0.572730 -0.757821
C 4.403978 0.344737 -0.303331
C 4.059030 -1.143534 -0.210848
C 3.379571 1.116953 -1.137238
C 2.606053 -1.360715 0.239450
C 1.945020 0.842096 -0.662344
C 6.143120 1.557286 1.432070
C 0.249027 -0.929283 -0.379287
C 6.722914 1.188710 0.091335
C 6.196386 0.156026 -2.119250
C -0.474234 -1.029957 -1.729308
C -2.750142 -0.525152 -1.021796
C -4.092784 -1.250917 -0.877525
C -4.051388 -2.311653 0.229682
C -5.246241 0.127613 0.686250
C -4.660420 -0.589273 1.749965
C -6.003486 1.275806 0.925543
C -4.817387 -0.157914 3.069615
C -6.164470 1.698468 2.249411
C -5.574708 0.994074 3.306214
H 4.748853 -1.672811 0.476075
H 4.203215 -1.614764 -1.207713
H 3.472558 0.815700 -2.203390
H 3.581487 2.206434 -1.112649
H 2.368882 -2.446504 0.184171
H 2.479957 -1.057337 1.302429
H 1.773618 1.294631 0.339997
H 1.228216 1.335409 -1.356344
H 6.694285 1.054927 2.253056
H 6.232818 2.647808 1.614747
H -0.241403 -0.159929 0.259269
H 0.141148 -1.889810 0.168748
H 6.042174 -0.925347 -2.263162
H 7.274564 0.371621 -2.270095
H 5.630026 0.708818 -2.886139
H -0.090750 -1.849156 -2.363892
H -0.482617 -0.077023 -2.283970
H -4.394924 -1.682652 -1.865671
H -4.988410 -2.898774 0.251301
H -3.169643 -2.978172 0.150642
H -6.444083 1.820478 0.092503
H -4.354089 -0.714231 3.881658
H -6.751787 2.592253 2.456366
H -5.706151 1.345262 4.329113


%chk=000215921-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215921

0 1
S 4.211746 1.073466 1.578077
O 7.782261 1.600218 -0.133945
O -1.894829 -1.733432 -1.550101
O -5.141616 -0.248493 -0.687157
O -3.764592 -1.627501 1.491616
O -2.425931 0.489460 -1.046409
N 1.679519 -0.873415 -0.655233
N 5.648487 0.808248 -0.717478
C 4.300593 0.411294 -0.251070
C 4.119320 -1.126743 -0.244636
C 3.169385 1.076958 -1.065623
C 2.699289 -1.530246 0.200467
C 1.785753 0.606901 -0.576482
C 6.054708 1.447484 1.599689
C 0.299967 -1.363475 -0.432928
C 6.592417 1.299863 0.176893
C 6.027484 0.630698 -2.129030
C -0.466241 -1.346985 -1.769921
C -2.755371 -0.705644 -1.160364
C -4.155940 -1.303879 -0.926007
C -4.155349 -2.309131 0.245218
C -5.155515 0.243416 0.645103
C -4.487568 -0.423831 1.705464
C -5.872389 1.428565 0.896285
C -4.516588 0.111454 3.007650
C -5.910207 1.959475 2.203460
C -5.225019 1.306692 3.257471
H 4.870625 -1.585841 0.422419
H 4.281480 -1.509004 -1.272203
H 3.273514 0.786830 -2.129093
H 3.251021 2.175267 -0.987982
H 2.586170 -2.625753 0.107753
H 2.568156 -1.266171 1.279800
H 1.614875 0.969600 0.468781
H 0.999484 1.061797 -1.204210
H 6.587405 0.754693 2.271051
H 6.218142 2.480575 1.942801
H -0.252835 -0.756595 0.320236
H 0.338186 -2.400458 -0.053750
H 5.852660 -0.406874 -2.464161
H 7.103283 0.860766 -2.203127
H 5.468870 1.321053 -2.786128
H -0.076974 -2.104385 -2.465608
H -0.438601 -0.346615 -2.234867
H -4.475877 -1.811186 -1.852328
H -5.169916 -2.738321 0.355221
H -3.413350 -3.104725 0.087892
H -6.374429 1.923345 0.059258
H -3.987472 -0.421033 3.804266
H -6.464885 2.883579 2.395539
H -5.246103 1.722138 4.270133


