%chk=000222276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222276

0 1
S 0.278681 -0.482094 -1.866049
O -0.536031 -0.848531 2.382920
O 4.038845 0.144615 1.010402
O 3.707226 -1.397320 -0.619645
O -3.439906 -3.320481 0.138179
O 5.290786 1.757851 -0.708262
N 0.985803 -1.279072 0.564136
N -2.173648 -1.486737 -0.355489
C 0.348659 -1.848998 -0.665216
C 1.281324 0.736609 -0.861160
C 1.815779 -0.086395 0.354272
C -0.959799 -2.090078 0.149442
C -0.268328 -1.286714 1.312887
C 0.327985 1.819714 -0.393919
C 2.367052 1.261565 -1.768658
C 3.247349 -0.574690 0.124940
C -3.388544 -2.191009 -0.312272
C -4.587231 -1.463681 -0.889545
C 5.469148 -0.012291 0.904000
C -4.658249 -0.009027 -0.525727
C 6.012191 1.047565 -0.052296
C -4.847390 0.367290 0.813478
C -4.540807 0.975312 -1.517391
C 7.507979 1.119348 -0.101328
C -4.919317 1.719756 1.153778
C -4.617114 2.327457 -1.169679
C -4.805204 2.702136 0.163807
H 0.854788 -2.738630 -1.082134
H 1.803731 0.547450 1.290880
H -1.129898 -3.166346 0.421518
H 0.864311 2.625291 0.130115
H -0.196666 2.297557 -1.234162
H -0.445773 1.448620 0.291300
H 2.917165 0.463288 -2.293811
H 3.130551 1.841052 -1.213841
H 1.977424 1.930601 -2.547094
H -2.112585 -0.543864 -0.745953
H -5.508881 -1.986809 -0.534774
H -4.594314 -1.612680 -1.992447
H 5.722165 -1.037875 0.566009
H 5.814091 0.137567 1.944255
H -4.934917 -0.394810 1.587795
H -4.395387 0.693201 -2.558436
H 7.957386 0.170850 -0.426875
H 7.946008 1.372481 0.873166
H 7.843500 1.891480 -0.813292
H -5.064919 2.009270 2.194218
H -4.531027 3.090088 -1.942586
H -4.864992 3.755217 0.432048


%chk=000222276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222276

0 1
S 0.156999 0.165702 -1.587614
O -0.523918 -0.986136 2.615161
O 4.211649 0.312760 1.087691
O 3.555654 -1.111881 -0.640358
O -3.167300 -3.649287 -0.087201
O 5.514823 1.624593 -1.008439
N 0.968407 -1.037921 0.686776
N -2.202693 -1.531079 -0.179212
C 0.358853 -1.453723 -0.600442
C 1.196480 1.208200 -0.292127
C 1.853346 0.128063 0.677685
C -0.891257 -1.981742 0.206073
C -0.212361 -1.281887 1.450209
C 0.220530 2.089580 0.518578
C 2.215906 2.059009 -1.068943
C 3.260158 -0.302896 0.262713
C -3.274250 -2.405343 -0.298326
C -4.615212 -1.777019 -0.737206
C 5.613403 -0.024917 0.796587
C -4.695510 -0.259743 -0.709455
C 6.174405 0.738679 -0.416589
C -4.936086 0.425953 0.511374
C -4.509060 0.504803 -1.890467
C 7.572048 0.317291 -0.840403
C -4.992030 1.836640 0.549623
C -4.564473 1.917410 -1.856210
C -4.806513 2.587883 -0.635381
H 0.935947 -2.167465 -1.201044
H 1.902213 0.554323 1.694113
H -0.925156 -3.081727 0.299723
H 0.788506 2.770892 1.182030
H -0.395998 2.704198 -0.159309
H -0.460912 1.487120 1.144055
H 2.859045 1.445514 -1.718598
H 2.871505 2.610178 -0.370286
H 1.688610 2.796939 -1.698665
H -2.336856 -0.536736 -0.388455
H -5.379787 -2.230696 -0.081120
H -4.815130 -2.164324 -1.754182
H 5.716882 -1.113029 0.622057
H 6.169560 0.255774 1.707695
H -5.079849 -0.150243 1.433568
H -4.324235 -0.008496 -2.842162
H 7.496521 -0.590150 -1.471144
H 8.212182 0.065249 0.024156
H 8.041851 1.113411 -1.438452
H -5.181955 2.348592 1.499609
H -4.421970 2.490588 -2.779122
H -4.853969 3.682195 -0.607061


