%chk=000285086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285086

0 1
S -0.177018 1.403657 1.898914
P 0.056491 0.632405 0.175142
O 1.500985 0.872990 -0.606614
O -0.043585 -1.002602 0.295831
O -4.380534 2.121687 -0.610412
N -0.990972 1.112322 -1.129871
C -2.060545 2.097101 -0.803889
C 2.711185 0.685652 0.190211
C 0.015541 -1.777973 -0.941316
C 3.823907 0.810029 -0.851786
C 0.231411 -3.203645 -0.430689
C -3.234765 1.385666 -0.107623
C 5.195540 0.679813 -0.201761
C 0.239543 -4.203837 -1.579414
C -5.603265 1.819356 0.083026
H -0.517987 1.347821 -2.024311
H -1.719473 2.963144 -0.191207
H -2.443977 2.536312 -1.759503
H 2.696990 -0.310259 0.669624
H 2.763852 1.484523 0.955158
H 0.850021 -1.431563 -1.576853
H -0.949856 -1.664107 -1.469411
H 3.686710 0.040251 -1.637201
H 3.729131 1.783433 -1.375794
H 1.178391 -3.253839 0.143409
H -0.563574 -3.452072 0.303600
H -3.336525 0.329174 -0.412020
H -3.188691 1.462896 0.992098
H 5.993884 0.771079 -0.948623
H 5.323802 -0.289912 0.293861
H 5.366301 1.459738 0.550691
H -0.709328 -4.201905 -2.129264
H 1.040349 -3.995654 -2.298447
H 0.394778 -5.224505 -1.207560
H -6.333816 2.456674 -0.430301
H -5.525810 2.093821 1.139518
H -5.861489 0.762929 -0.033412


%chk=000285086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285086

0 1
S 0.281774 1.881530 2.138193
P 0.345167 0.949019 0.303761
O 1.810682 0.999120 -0.651913
O 0.041796 -0.758263 0.529690
O -4.349242 1.787240 -0.396787
N -0.673205 1.519960 -0.964404
C -1.992694 2.127948 -0.707101
C 3.103033 0.756553 0.041167
C -0.059044 -1.640061 -0.665038
C 4.213024 1.096563 -0.956133
C -0.651340 -2.966413 -0.179615
C -3.087800 1.061511 -0.535043
C 5.610956 0.874640 -0.335176
C -0.782769 -3.984619 -1.334899
C -5.475754 0.904148 -0.105955
H -0.203538 1.715496 -1.850563
H -1.962086 2.764852 0.197755
H -2.251578 2.775506 -1.562671
H 3.155483 -0.304843 0.355817
H 3.157066 1.398284 0.942878
H 0.950502 -1.784524 -1.098234
H -0.709012 -1.161687 -1.425939
H 4.092379 0.469446 -1.859338
H 4.097154 2.149508 -1.273114
H -0.005133 -3.373892 0.619544
H -1.639526 -2.769983 0.276151
H -3.113297 0.388140 -1.421560
H -2.884815 0.445165 0.369404
H 6.404817 1.121042 -1.062221
H 5.752561 -0.177711 -0.025280
H 5.759870 1.512601 0.555675
H -1.439522 -3.601291 -2.138510
H 0.201788 -4.214484 -1.783765
H -1.215293 -4.933660 -0.971641
H -6.360878 1.552631 -0.011567
H -5.321484 0.350412 0.844530
H -5.642438 0.170716 -0.924296


