%chk=000286601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286601

0 1
S 3.518823 -0.355196 1.092981
O 1.813122 -0.405182 1.209600
O -2.361726 0.001010 -1.193972
O 1.661498 3.310033 0.465747
O 4.011443 -1.065588 2.240180
O 3.824414 1.047491 0.931934
O 1.587586 1.837516 -1.262447
O -2.405759 1.986572 -0.029384
N -0.591904 0.521890 0.092849
C 0.291318 1.444426 0.816688
C 1.120943 0.657047 1.861640
C 3.725210 -1.253251 -0.346506
C 1.241139 2.167502 -0.153370
C -1.838837 0.959192 -0.345718
C 4.184039 -2.576586 -0.276088
C 3.434661 -0.674250 -1.587674
C -3.754932 0.194151 -1.606233
C -4.677814 -0.356569 -0.557624
C 4.357555 -3.316739 -1.446306
C 3.608300 -1.417894 -2.759154
C 4.068722 -2.736003 -2.688251
C -5.204155 -1.649395 -0.686961
C -5.016313 0.428450 0.554973
C -6.074593 -2.148430 0.286685
C -5.884661 -0.075405 1.525912
C -6.416648 -1.362505 1.391661
C 2.800373 3.996355 -0.131523
H -0.331949 2.226655 1.350611
H 1.810379 1.338466 2.399024
H 0.446833 0.145221 2.581587
H -0.165511 -0.326288 -0.288835
H 4.409138 -3.029969 0.696915
H 3.066407 0.362130 -1.652343
H -3.765318 -0.376649 -2.554322
H -3.926401 1.270115 -1.804660
H 4.715172 -4.344458 -1.393985
H 3.379859 -0.966400 -3.724882
H 4.203059 -3.316180 -3.602940
H -4.933746 -2.268625 -1.540531
H -4.587078 1.429776 0.662257
H -6.484111 -3.151789 0.184731
H -6.146046 0.535294 2.388696
H -7.094782 -1.752849 2.148486
H 2.817410 4.946546 0.410541
H 2.641646 4.133418 -1.204678
H 3.693937 3.387444 0.071289


%chk=000286601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286601

0 1
S 3.724206 -0.321412 1.105541
O 1.852467 -0.486683 1.383583
O -2.286297 -0.200011 -0.972212
O 1.708077 3.372618 0.607908
O 4.496636 -1.102445 2.288771
O 4.016143 1.258830 0.872820
O 1.560406 1.886441 -1.181670
O -2.279701 1.985445 -0.067349
N -0.506393 0.487426 0.258360
C 0.348062 1.438750 0.950774
C 1.216616 0.698599 1.998437
C 3.834210 -1.322453 -0.483654
C 1.249164 2.230561 -0.019545
C -1.733013 0.862613 -0.241233
C 4.463828 -2.574280 -0.388965
C 3.310021 -0.771248 -1.664810
C -3.663265 0.045507 -1.522197
C -4.741551 -0.405062 -0.560517
C 4.581550 -3.327028 -1.579854
C 3.442054 -1.548635 -2.839623
C 4.072681 -2.815059 -2.796698
C -5.300214 -1.703976 -0.664657
C -5.209627 0.470098 0.454602
C -6.307952 -2.127098 0.230711
C -6.215926 0.047761 1.350861
C -6.768086 -1.250567 1.240862
C 2.767292 4.131236 -0.106684
H -0.285175 2.172884 1.480688
H 1.970809 1.389630 2.419207
H 0.578532 0.295914 2.804368
H -0.114743 -0.421536 0.003497
H 4.847482 -2.937284 0.569645
H 2.813060 0.205442 -1.680010
H -3.666826 -0.548897 -2.449465
H -3.745028 1.122041 -1.751311
H 5.067539 -4.307425 -1.552104
H 3.045304 -1.160285 -3.782954
H 4.167416 -3.405452 -3.714310
H -4.942864 -2.384828 -1.447240
H -4.770563 1.470760 0.538550
H -6.734453 -3.132439 0.140476
H -6.572222 0.729669 2.131137
H -7.551462 -1.575666 1.934975
H 2.924583 5.032918 0.500527
H 2.431242 4.385729 -1.125193
H 3.676684 3.509395 -0.147446


