%chk=000266879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266879

0 1
S 0.335549 -0.595805 -1.170975
O -0.383731 0.460681 -1.853456
O 0.311230 -1.936426 -1.719620
O -1.937270 4.385074 -0.056221
O -2.877836 -3.472303 -1.308060
O -0.009257 3.280221 0.345566
O -3.156466 -1.340280 -0.617475
N -0.277322 -0.745215 0.436866
C -0.582569 0.455818 1.259662
C -1.993827 1.023222 1.033173
C -0.590894 -2.018033 1.019547
C 1.959463 -0.093167 -0.909272
C -2.091141 2.051059 -0.093742
C -1.650112 -2.837168 0.574821
C 0.222797 -2.462259 2.085697
C 2.261203 1.259094 -0.706782
C 2.988544 -1.043035 -0.918946
C -1.838699 -4.104284 1.156615
C -1.200268 3.235462 0.105696
C 0.002046 -3.706610 2.668982
C 4.616756 0.707525 -0.509315
C 3.582393 1.658708 -0.505256
C 4.310622 -0.649436 -0.719374
C -1.025374 -4.536481 2.201012
C -2.602473 -2.408136 -0.477363
C 6.031367 1.137724 -0.309850
C -1.258898 5.673681 0.059128
C -1.047886 6.014360 1.520519
C -3.755452 -3.201066 -2.434660
H 0.191905 1.235625 1.053126
H -0.468086 0.194496 2.337054
H -2.364471 1.465087 1.977917
H -2.698044 0.187759 0.789754
H -3.147652 2.367170 -0.231830
H -1.810530 1.563261 -1.075421
H 1.035532 -1.828303 2.438659
H 1.460689 2.017178 -0.703726
H 2.755647 -2.100704 -1.092552
H -2.636524 -4.748134 0.775355
H 0.637933 -4.041418 3.489377
H 3.807100 2.712329 -0.346697
H 5.105388 -1.392260 -0.731640
H -1.183467 -5.515765 2.648427
H 6.667549 0.334937 0.087019
H 6.116384 1.987065 0.382756
H 6.476803 1.458031 -1.265320
H -1.984626 6.338912 -0.443228
H -0.311922 5.625282 -0.506784
H -1.980176 5.922225 2.092313
H -0.315617 5.335303 1.981911
H -0.676807 7.037699 1.645218
H -4.664158 -2.694209 -2.095788
H -3.211830 -2.584225 -3.159118
H -3.957815 -4.203064 -2.825303


%chk=000266879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266879

0 1
S 0.673783 0.236169 -1.200251
O 0.580080 1.820461 -1.546148
O 0.097721 -0.921909 -2.186003
O -3.236746 3.773627 0.183514
O -2.408614 -2.717886 -1.846042
O -1.146761 4.061186 1.176198
O -2.850403 -0.664714 -0.846415
N -0.296301 0.022095 0.477767
C 0.043542 1.102750 1.430389
C -1.199077 1.417673 2.301081
C -0.386120 -1.335980 0.890882
C 2.487523 -0.172372 -0.865428
C -2.385623 1.934401 1.464831
C -1.251847 -2.232008 0.180155
C 0.374394 -1.839599 1.985433
C 3.353327 0.879895 -0.523033
C 2.899440 -1.510720 -0.975457
C -1.279073 -3.602073 0.540265
C -2.155754 3.346456 0.953969
C 0.294483 -3.193770 2.363045
C 5.177458 -0.776258 -0.370776
C 4.706572 0.561201 -0.275981
C 4.258257 -1.800957 -0.721589
C -0.519702 -4.085821 1.626281
C -2.214370 -1.744230 -0.862779
C 6.642973 -1.095922 -0.139926
C -3.133454 5.138595 -0.417438
C -3.634649 6.204652 0.561760
C -3.299360 -2.313372 -2.957790
H 0.287520 2.004657 0.841036
H 0.918098 0.868911 2.074742
H -0.895190 2.178253 3.045123
H -1.506940 0.509330 2.851914
H -3.319236 1.936863 2.059100
H -2.569827 1.261326 0.605024
H 1.036380 -1.164598 2.536842
H 2.985349 1.910358 -0.480722
H 2.189012 -2.288376 -1.273149
H -1.923095 -4.276777 -0.030607
H 0.880272 -3.556551 3.214990
H 5.406453 1.363103 -0.014067
H 4.608482 -2.836226 -0.803877
H -0.570208 -5.144541 1.901223
H 6.785367 -2.139594 0.189148
H 7.089136 -0.431132 0.620123
H 7.223997 -0.962800 -1.073039
H -3.765736 5.072525 -1.317247
H -2.081900 5.316879 -0.702601
H -4.664663 5.983035 0.891353
H -2.978898 6.260546 1.446880
H -3.634904 7.194862 0.068691
H -4.306653 -2.069028 -2.579634
H -2.874721 -1.431395 -3.465156
H -3.324093 -3.183996 -3.628205


