%chk=000235574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235574

0 1
S 4.491743 1.248406 -1.048871
O -5.031100 0.523574 0.760064
O 5.279274 0.212552 -2.127015
O 3.959452 2.277625 -1.906176
O 5.502293 1.585567 -0.059800
N -0.099785 -1.005577 -1.392545
N 4.663586 -0.391904 1.548432
C 1.107015 -0.757484 -0.645457
C 3.318417 0.232554 -0.387342
C 2.096575 0.102299 -1.092040
C 3.510855 -0.497837 0.804854
C -1.352937 -0.546970 -0.854916
C 1.314329 -1.522335 0.545677
C 2.477860 -1.390595 1.258733
C -2.509987 -0.815020 -1.610903
C -1.465926 0.079343 0.404911
C -3.865322 0.134207 0.138866
C -3.771553 -0.474877 -1.118347
C -2.716068 0.415630 0.906653
C -6.294064 0.286638 0.060690
C -7.328415 0.832014 1.026045
H 1.944332 0.697339 -2.000415
H 0.002666 -0.802169 -2.392110
H 0.526477 -2.209904 0.869359
H 2.635627 -1.967775 2.167535
H -2.429772 -1.300548 -2.582582
H -0.575347 0.311595 0.987796
H -4.652884 -0.689671 -1.713818
H -2.828724 0.896796 1.876542
H 4.769113 -0.897507 2.410983
H 5.401161 0.291290 1.325184
H -6.271814 0.834919 -0.896536
H -6.399943 -0.797961 -0.111856
H 5.760263 0.636560 -2.850644
H -8.343515 0.724334 0.628704
H -7.282078 0.312929 1.993798
H -7.153701 1.896861 1.235847


%chk=000235574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235574

0 1
S 5.049005 0.773765 -1.353883
O -5.339170 0.292573 0.891315
O 5.407782 -0.763737 -2.361907
O 4.674675 1.965010 -2.381729
O 6.296322 0.974473 -0.320031
N -0.091190 0.048344 -1.249386
N 4.884445 -0.724064 1.440351
C 1.128960 -0.122331 -0.561516
C 3.552261 0.146941 -0.465885
C 2.327034 0.372655 -1.125034
C 3.684984 -0.533103 0.780792
C -1.400029 0.079821 -0.700432
C 1.224455 -0.836988 0.673440
C 2.449027 -1.016715 1.323380
C -2.501503 -0.269586 -1.523304
C -1.659712 0.503540 0.634627
C -4.069171 0.200599 0.294915
C -3.827061 -0.201005 -1.042027
C -2.975413 0.552010 1.124969
C -6.509282 -0.050755 0.061807
C -7.744770 0.142505 0.937063
H 2.319707 0.948021 -2.057709
H -0.025316 0.173499 -2.260079
H 0.320589 -1.267655 1.114061
H 2.480171 -1.565718 2.271744
H -2.321233 -0.605260 -2.552021
H -0.836035 0.827397 1.277821
H -4.648704 -0.473279 -1.710688
H -3.180418 0.880776 2.148532
H 4.900775 -1.231379 2.320491
H 5.737730 -0.274152 1.090628
H -6.539864 0.612112 -0.828218
H -6.421944 -1.101869 -0.284391
H 6.216249 -0.564344 -2.919459
H -8.658358 -0.102218 0.365205
H -7.700096 -0.512897 1.823537
H -7.816800 1.187915 1.282321


