%chk=000191221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191221

0 1
S -0.670129 -2.296740 -1.798837
P 4.823961 0.634771 -0.611271
O 0.776494 -0.619707 1.224317
O 2.655464 -2.900990 -0.112880
O 4.295411 -0.627673 0.277596
O 4.714799 1.908786 0.429340
O 3.480770 0.898807 -1.529518
O 6.106893 0.473441 -1.291588
N -1.385236 -0.880744 0.281608
N -2.711420 -0.337021 -1.541604
N -2.449030 0.627773 1.988389
N -4.301361 1.927017 1.049294
N -4.974269 1.774799 -1.212381
C 0.370725 -2.447143 -0.295735
C -0.213239 -1.579274 0.849271
C 1.770441 -1.881152 -0.584322
C 1.851174 -0.567665 0.243007
C -1.697875 -1.074723 -1.111046
C 3.114158 -0.422731 1.100308
C -2.284320 0.084510 0.744341
C -3.105971 0.407279 -0.404998
C -4.137811 1.370131 -0.206619
C -3.466144 1.532693 2.058403
H 0.442154 -3.525755 -0.010391
H -0.484755 -2.094329 1.800739
H 1.988531 -1.696649 -1.659669
H 1.655205 0.327172 -0.395479
H 3.202382 -1.253895 1.835251
H 3.145433 0.546614 1.635833
H 3.599892 -2.614733 -0.204999
H -3.641906 2.004372 3.041494
H -4.899552 1.366493 -2.131413
H -5.709708 2.440502 -1.034139
H 5.546043 2.399917 0.651260
H 3.551996 1.511448 -2.303963


%chk=000191221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191221

0 1
S -0.486475 -1.622923 -2.087775
P 5.373258 0.240065 -0.701556
O 0.721528 -0.169715 0.989157
O 2.468963 -2.744243 0.483986
O 4.330523 -0.654927 0.315465
O 5.803361 1.670625 0.169290
O 4.195781 0.918819 -1.745108
O 6.568612 -0.611014 -1.282820
N -1.516158 -0.679835 0.200935
N -2.865663 -0.087335 -1.569991
N -2.824726 0.321955 2.074296
N -4.857419 1.446276 1.259480
N -5.452047 1.537228 -1.027912
C 0.333130 -2.124549 -0.416953
C -0.273065 -1.228447 0.712579
C 1.835485 -1.795936 -0.433286
C 1.882398 -0.327702 0.074555
C -1.749747 -0.707115 -1.187275
C 3.118238 -0.021466 0.933290
C -2.582736 0.034466 0.768137
C -3.400227 0.391236 -0.344861
C -4.580860 1.130146 -0.052303
C -3.986121 1.032238 2.227749
H 0.158013 -3.197825 -0.261145
H -0.448563 -1.764543 1.658781
H 2.273997 -1.872281 -1.446081
H 1.789126 0.371771 -0.775664
H 3.019359 -0.515550 1.911205
H 3.280265 1.060970 1.064486
H 3.443262 -2.541904 0.496521
H -4.251259 1.303593 3.253810
H -5.267309 1.310070 -2.002349
H -6.281423 2.062076 -0.759054
H 6.678206 1.626144 0.633786
H 4.509493 1.625234 -2.363776


