%chk=000229217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229217

0 1
S 1.509056 2.537235 0.454307
O 2.387403 3.516815 -0.149130
O 1.085581 2.702424 1.816966
O 4.878687 -3.010249 -0.973305
O 3.265479 -3.873485 0.182424
N 0.137520 2.567581 -0.615109
N -0.794415 1.622702 -0.281563
N 3.851747 -2.931176 -0.321416
C 2.176760 0.946375 0.231362
C -2.862225 0.469719 -0.365691
C -1.993285 1.596408 -0.796605
C 3.361550 0.803598 -0.497841
C 1.534640 -0.164674 0.781524
C -4.525508 -1.645238 0.433680
C -3.379816 -0.417719 -1.321852
C -3.171229 0.292700 0.991035
C 3.265810 -1.573478 -0.125930
C 3.918401 -0.464622 -0.681388
C 2.079905 -1.442278 0.604482
C -4.205766 -1.468565 -0.923387
C -4.000732 -0.757771 1.386818
C -2.577919 2.578135 -1.764864
C -5.400722 -2.778096 0.859147
H 3.858975 1.684928 -0.926034
H 0.599782 -0.048394 1.346725
H -0.119853 3.411003 -1.147023
H -3.131826 -0.289532 -2.374665
H -2.760208 0.975827 1.735654
H 4.846358 -0.598353 -1.248213
H 1.589393 -2.326719 1.026359
H -4.601639 -2.156144 -1.668443
H -4.238359 -0.888153 2.441150
H -2.542414 3.605120 -1.374022
H -3.635903 2.365813 -1.980110
H -2.045935 2.562446 -2.726944
H -5.969642 -2.548591 1.770309
H -6.131799 -3.055230 0.087765
H -4.799052 -3.675162 1.071531


%chk=000229217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229217

0 1
S 1.351255 2.347412 0.667821
O 2.200806 3.666859 0.230390
O 0.647710 2.180640 2.126025
O 5.815375 -2.498934 -1.069035
O 4.527472 -3.675765 0.400608
N 0.053951 2.124087 -0.823716
N -0.962898 1.300864 -0.436445
N 4.829339 -2.600777 -0.244299
C 2.417384 0.820090 0.379689
C -3.165679 0.367457 -0.544139
C -2.149438 1.327446 -1.036135
C 3.496380 0.930668 -0.512765
C 2.091971 -0.350235 1.084462
C -5.116626 -1.491796 0.458664
C -4.317671 0.033306 -1.306081
C -3.005722 -0.249409 0.732242
C 3.980883 -1.395486 -0.023054
C 4.301804 -0.208049 -0.717503
C 2.896550 -1.489525 0.876248
C -5.271815 -0.881962 -0.810576
C -3.961130 -1.155691 1.219064
C -2.425555 2.281560 -2.183814
C -6.146234 -2.466169 0.999358
H 3.706203 1.881084 -1.012987
H 1.248872 -0.360085 1.781228
H -0.172352 3.115001 -1.086779
H -4.471484 0.464826 -2.301085
H -2.124622 0.008394 1.328204
H 5.159399 -0.192717 -1.394506
H 2.700288 -2.434344 1.388916
H -6.148464 -1.127443 -1.421522
H -3.819723 -1.608340 2.208334
H -2.168870 3.323409 -1.898058
H -3.482814 2.282481 -2.482143
H -1.806141 2.029109 -3.065854
H -6.619776 -2.076679 1.920582
H -6.947030 -2.660195 0.265679
H -5.682799 -3.435891 1.260685


