%chk=000230798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230798

0 1
S 2.998530 1.214016 0.513803
O 3.986173 1.857568 -0.307915
O 2.551941 1.789951 1.758233
O -1.085918 -0.142162 -3.383733
O 0.847296 0.686822 -2.975453
O -7.091667 0.546360 -0.628894
O -6.516279 0.805530 1.440383
N 1.602322 1.157929 -0.574752
N -0.308814 0.413902 -2.626177
N -6.259841 0.687435 0.251465
C -2.119703 0.736725 -0.929283
C 0.262533 1.040709 -0.278437
C -0.714333 0.743660 -1.275123
C -2.494559 0.910387 0.434856
C -0.166931 1.201295 1.092021
C 3.347664 -0.443926 0.718681
C -1.479441 1.130671 1.430549
C -3.168414 0.585348 -1.885793
C -3.856468 0.888926 0.818714
C -4.839774 0.716845 -0.141964
C -4.491477 0.572935 -1.512162
C 4.107773 -1.126595 -0.243501
C 2.890855 -1.129174 1.853422
C 3.928142 -3.171216 1.052347
C 4.394664 -2.478938 -0.081593
C 3.175149 -2.482213 2.020949
C 4.235295 -4.619100 1.215125
H 1.837392 1.222166 -1.612239
H 0.579516 1.438134 1.867777
H -1.793699 1.258221 2.472006
H -2.924271 0.468962 -2.951266
H -4.133918 1.010792 1.873412
H -5.292019 0.454041 -2.252850
H 4.485418 -0.594498 -1.125242
H 2.312807 -0.598173 2.619050
H 4.982839 -3.003802 -0.834505
H 2.815274 -3.006856 2.905512
H 3.844150 -5.044530 2.149953
H 3.809330 -5.214934 0.391598
H 5.321163 -4.805313 1.210325


%chk=000230798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230798

0 1
S 3.069392 1.267069 0.431750
O 4.182252 1.872169 -0.570343
O 2.696497 1.967805 1.848305
O -1.173697 0.449633 -3.698528
O 0.897794 1.112590 -3.093162
O -7.223050 0.457463 -0.581228
O -6.534766 0.596386 1.591241
N 1.566206 1.225558 -0.697927
N -0.356507 0.822994 -2.772240
N -6.303697 0.564194 0.319596
C -2.187642 0.813925 -1.025121
C 0.239593 1.096386 -0.367273
C -0.778528 0.917687 -1.384478
C -2.527881 0.855526 0.385401
C -0.164748 1.125335 1.019370
C 3.419112 -0.558826 0.734792
C -1.491686 1.003232 1.370539
C -3.278843 0.697459 -1.955236
C -3.880377 0.770125 0.814065
C -4.898483 0.654201 -0.134049
C -4.605875 0.625721 -1.521991
C 4.121237 -1.261483 -0.259392
C 2.994731 -1.127290 1.944697
C 3.971955 -3.261688 1.180795
C 4.390845 -2.624661 -0.020522
C 3.280700 -2.495439 2.155268
C 4.271342 -4.730394 1.410942
H 1.778867 1.311308 -1.723565
H 0.599581 1.303784 1.779525
H -1.777915 1.042111 2.427495
H -3.071224 0.656253 -3.021555
H -4.130820 0.799520 1.878567
H -5.427381 0.542713 -2.238196
H 4.460540 -0.760797 -1.171820
H 2.487664 -0.523808 2.704168
H 4.937537 -3.201158 -0.775265
H 2.966550 -2.968104 3.092109
H 3.924347 -5.068326 2.401299
H 3.778631 -5.360054 0.646870
H 5.356448 -4.931220 1.344394


