%chk=000297241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297241

0 1
S -4.338207 0.551809 -0.285302
O -5.441587 1.140843 0.861422
O -4.352443 1.496148 -1.370246
O -4.674348 -0.825756 -0.501709
O 1.885801 -3.399102 2.022488
O 1.788102 -3.027422 -0.819611
O 0.053677 0.526539 -2.940330
O 4.649781 1.860922 1.223113
O 2.635723 2.823553 0.865739
N 0.936797 2.014191 -1.450495
C -2.892523 0.768354 0.712780
C -3.024021 -0.070285 1.993827
C -1.667606 -0.193640 2.702658
C -1.638710 0.482577 -0.083978
C -0.705887 -0.888864 1.782002
C -0.763314 -0.601509 0.404180
C 0.199504 -1.838200 2.268566
C 0.021275 -1.353551 -0.489089
C -1.340650 1.275305 -1.127474
C 1.036574 -2.532783 1.384975
C 0.936771 -2.287077 -0.014080
C -0.088755 1.199961 -1.928341
C -6.808864 1.203971 0.437857
C 2.285795 1.952836 -2.052275
C 3.114499 0.759037 -1.539980
C 2.706501 -4.277180 1.207733
C 1.834900 -2.665394 -2.223940
C 3.119383 0.587600 -0.018072
C 3.377757 1.879490 0.702945
C 5.077913 3.033135 1.967554
H -2.832205 1.849509 1.034124
H -3.774467 0.389414 2.669616
H -3.401381 -1.092018 1.758570
H -1.273593 0.805513 2.982722
H -1.787807 -0.746081 3.656140
H 0.265424 -2.061055 3.333249
H -0.109441 -1.215236 -1.569262
H -2.032832 2.045964 -1.499615
H 0.880535 2.474087 -0.537732
H -7.335828 1.616987 1.308693
H -6.908402 1.878477 -0.422268
H -7.180908 0.197264 0.209542
H 2.186209 1.876610 -3.162580
H 2.804085 2.913151 -1.830842
H 2.711745 -0.183362 -1.992016
H 4.152943 0.858566 -1.913353
H 3.873480 -0.178014 0.271354
H 2.135962 0.185860 0.325512
H 2.074177 -4.884433 0.550927
H 3.205692 -4.887014 1.969041
H 3.420152 -3.684806 0.625778
H 2.604750 -3.345578 -2.604960
H 2.135219 -1.609537 -2.336852
H 0.867987 -2.855696 -2.701386
H 5.208788 3.868505 1.273452
H 6.029196 2.707706 2.401533
H 4.339185 3.280110 2.736994


%chk=000297241-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297241

0 1
S -4.138761 -0.465663 0.447805
O -5.380826 0.884462 -0.044412
O -3.733653 -1.253928 -0.914367
O -4.738112 -1.343135 1.680081
O 1.864561 -3.481446 1.774267
O 1.378327 -3.016958 -1.020574
O -0.374160 1.524150 -2.987466
O 4.960246 1.906093 1.111267
O 2.747606 2.610993 1.105312
N 0.958012 2.137703 -1.164774
C -2.719400 0.986606 1.157832
C -2.528768 0.648111 2.638868
C -1.045286 0.344845 2.999741
C -1.549871 0.844196 0.256967
C -0.399093 -0.559003 1.966091
C -0.634242 -0.272572 0.593381
C 0.425979 -1.651455 2.301119
C -0.072837 -1.099435 -0.411521
C -1.412652 1.703110 -0.808986
C 1.011217 -2.472326 1.310671
C 0.757706 -2.186816 -0.071511
C -0.233766 1.763346 -1.741425
C -6.361935 0.423129 -1.042091
C 2.206034 2.290445 -1.926208
C 3.205862 1.119291 -1.731272
C 1.743232 -4.841679 1.203541
C 1.033724 -2.796947 -2.432312
C 3.409142 0.659198 -0.254540
C 3.635201 1.808520 0.706210
C 5.275438 3.010785 2.054509
H -3.370927 1.845548 0.939543
H -2.904847 1.493229 3.243867
H -3.161229 -0.224501 2.906302
H -0.487555 1.301684 3.056187
H -1.000650 -0.111515 4.004163
H 0.630204 -1.904912 3.346444
H -0.322061 -0.898088 -1.456627
H -2.232424 2.387755 -1.062291
H 1.019518 2.318003 -0.154934
H -6.813341 1.351047 -1.434227
H -5.863702 -0.121495 -1.866238
H -7.140698 -0.209988 -0.579091
H 1.936465 2.366705 -2.993733
H 2.677316 3.241993 -1.618803
H 2.855490 0.237558 -2.299604
H 4.177377 1.422980 -2.166294
H 4.258292 -0.040635 -0.199772
H 2.499856 0.128227 0.078403
H 0.710174 -5.217805 1.328297
H 2.439317 -5.453054 1.797535
H 2.019652 -4.850722 0.138029
H 1.596470 -3.562932 -2.985516
H 1.341470 -1.788429 -2.769697
H -0.051438 -2.926054 -2.602313
H 5.045431 3.984594 1.591029
H 6.350740 2.907833 2.253711
H 4.684677 2.899756 2.978723


