%chk=000270156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270156

0 1
S 4.121615 -0.974723 -0.023434
O -3.969074 -0.610805 -0.226178
O 4.474645 -0.360122 1.247915
O 4.629880 -2.302096 -0.326639
O -2.496469 0.504565 1.127221
N 4.615002 0.030166 -1.331501
N -1.794024 -0.996809 -0.553937
C -5.132819 0.047224 0.441261
C -5.253908 1.447785 -0.152083
C -6.261426 -0.926627 0.102611
C -6.549615 2.146108 0.276855
C -7.502561 -0.638744 0.954059
C -7.793360 1.561476 -0.405356
C -8.456842 0.406103 0.356812
C 5.947554 -0.257085 -1.922852
C 4.195271 1.453901 -1.303427
C -2.718496 -0.273113 0.226279
C 2.401126 -0.963504 -0.169633
C 7.173461 0.280956 -1.163766
C 4.781710 2.296209 -0.157017
C -0.382178 -0.961852 -0.388835
C 1.777613 -1.738975 -1.153457
C 1.626872 -0.199592 0.712398
C 0.390378 -1.745688 -1.276237
C 0.238768 -0.186833 0.609208
C 7.480030 -0.481621 0.118847
C 4.230746 3.716596 -0.179475
H -4.908156 0.075882 1.530194
H -4.378574 2.052958 0.167775
H -5.191134 1.396491 -1.257290
H -6.505021 -0.880219 -0.976484
H -5.908120 -1.963752 0.277758
H -6.660327 2.105504 1.377800
H -6.468535 3.223332 0.027462
H -8.062176 -1.584224 1.105057
H -7.194950 -0.318711 1.970139
H -7.531559 1.225972 -1.428609
H -8.543514 2.365786 -0.544717
H -9.079023 0.819033 1.176372
H -9.166555 -0.099384 -0.328998
H 6.031933 -1.367602 -2.034615
H 5.949300 0.159080 -2.956769
H 3.081210 1.474257 -1.259697
H 4.465488 1.916531 -2.280453
H 7.030778 1.360195 -0.928836
H 8.049643 0.233501 -1.840894
H 5.892488 2.311272 -0.234394
H 4.575476 1.818419 0.827106
H -2.178030 -1.607786 -1.284225
H 2.381357 -2.353240 -1.832045
H 2.116639 0.391187 1.498449
H -0.081831 -2.352974 -2.044136
H -0.360966 0.414544 1.301938
H 6.760683 -0.245513 0.920172
H 7.443199 -1.568977 -0.028659
H 8.475394 -0.235661 0.502463
H 4.467643 4.233316 -1.116218
H 3.141507 3.733033 -0.057568
H 4.655536 4.312449 0.637984


%chk=000270156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270156

0 1
S 4.216271 -1.019380 0.106424
O -4.055316 -0.648857 -0.303792
O 4.538299 -0.434822 1.604201
O 4.751641 -2.498087 -0.328979
O -2.629954 0.403321 1.254863
N 4.732645 0.096460 -1.278254
N -1.835532 -0.977802 -0.504199
C -5.261246 -0.001582 0.337103
C -5.415806 1.403587 -0.273090
C -6.419906 -0.987872 0.117120
C -6.704875 2.157949 0.142853
C -7.661808 -0.624704 0.973731
C -7.998490 1.557903 -0.465983
C -8.645083 0.397031 0.339108
C 5.956153 -0.327672 -1.999752
C 4.362795 1.520365 -1.106527
C -2.811314 -0.330689 0.251501
C 2.346887 -0.969518 -0.082042
C 7.336127 0.169755 -1.499878
C 5.081893 2.374179 -0.025889
C -0.433684 -0.949701 -0.318497
C 1.762262 -1.689713 -1.137943
C 1.593074 -0.261940 0.866926
C 0.361229 -1.675186 -1.252615
C 0.187986 -0.245392 0.749712
C 7.705300 -0.318053 -0.082838
C 4.489840 3.799915 0.015688
H -5.040371 0.082555 1.419379
H -4.528752 1.998084 0.016850
H -5.402231 1.306555 -1.377201
H -6.682389 -1.040446 -0.957024
H -6.054248 -1.990973 0.406914
H -6.784659 2.209946 1.247822
H -6.596888 3.203625 -0.204406
H -8.225513 -1.550056 1.199713
H -7.309594 -0.243596 1.953772
H -7.764022 1.212506 -1.493458
H -8.758222 2.355626 -0.582114
H -9.267378 0.821102 1.152293
H -9.343266 -0.139474 -0.334040
H 5.944304 -1.434723 -1.998694
H 5.801442 -0.000480 -3.049014
H 3.270350 1.560918 -0.915833
H 4.516576 1.978497 -2.105840
H 7.387052 1.274446 -1.555075
H 8.085174 -0.208388 -2.226169
H 6.165391 2.424950 -0.235177
H 4.966060 1.882766 0.957062
H -2.199723 -1.528915 -1.284768
H 2.383636 -2.254573 -1.839270
H 2.099273 0.247277 1.693643
H -0.120428 -2.229609 -2.066963
H -0.428263 0.296882 1.468982
H 6.996523 0.053722 0.679013
H 7.688185 -1.422102 -0.030353
H 8.717720 0.023913 0.199679
H 4.606846 4.317757 -0.955927
H 3.409984 3.777438 0.257449
H 4.991748 4.412873 0.785505


