%chk=000267795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267795

0 1
S 5.714406 -1.748739 1.377277
O 5.171937 -2.639148 2.381015
O 6.915041 -2.088084 0.640865
O -4.974045 -2.846908 0.007353
O -4.554953 -1.231567 1.581766
N 0.599752 0.928471 -2.121875
N -3.102341 0.788971 -0.026961
N -0.473159 3.260598 -0.966192
N -3.008322 3.136146 0.331746
N -3.186442 -1.565162 -0.337455
N 6.064699 -0.277335 2.194661
C 1.375792 -0.253885 -2.548259
C 2.460115 -0.615175 -1.554629
C -0.571699 0.840022 -1.397244
C -1.146057 2.058645 -0.847209
C 4.469274 -1.313488 0.259768
C 3.802431 -0.614158 -1.960820
C 2.125169 -0.969060 -0.239933
C -1.272153 -0.355010 -1.210522
C -2.420448 1.973898 -0.180387
C 4.804102 -0.965239 -1.051984
C 3.130967 -1.317771 0.664819
C -2.514381 -0.329182 -0.516865
C -2.346443 4.282378 0.197160
C -1.047045 4.339762 -0.460325
C -2.956739 5.529092 0.735689
C -4.282339 -1.768938 0.545135
C -6.074460 -3.387195 0.809520
C -5.529168 -4.191813 1.969058
H 0.701865 -1.133592 -2.703562
H 1.807740 -0.027756 -3.554199
H 1.109752 1.817404 -2.119787
H 4.072259 -0.342967 -2.980419
H 1.081688 -0.969965 0.082090
H -0.877006 -1.294253 -1.582029
H 5.852478 -0.975687 -1.374259
H 2.863831 -1.605568 1.688462
H -0.519508 5.294659 -0.546726
H -3.008092 -2.300192 -1.031519
H -3.117349 6.274422 -0.056831
H -3.941068 5.335330 1.201416
H -2.321773 5.986266 1.508812
H 6.972838 0.154903 2.039902
H 5.826588 -0.206400 3.181695
H -6.588621 -4.003407 0.048574
H -6.713281 -2.545926 1.134528
H -5.030267 -3.542415 2.705748
H -4.790746 -4.933164 1.638558
H -6.327819 -4.727418 2.496374


%chk=000267795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267795

0 1
S 4.909188 -2.699649 1.624042
O 4.385650 -2.360694 3.128854
O 4.955501 -4.204894 1.002131
O -3.731802 -3.317297 0.132302
O -4.901815 -1.309869 0.549993
N 0.757358 1.775098 -1.761236
N -3.083392 0.930282 -0.081767
N -0.886427 3.811984 -0.988353
N -3.460894 3.253506 0.140029
N -2.663487 -1.396660 -0.307639
N 6.628754 -2.051402 1.490382
C 1.702601 0.830542 -2.343322
C 2.470180 -0.038797 -1.338068
C -0.463442 1.430485 -1.223744
C -1.331935 2.520844 -0.815357
C 3.942607 -1.615346 0.427148
C 3.101661 -1.224615 -1.793468
C 2.577112 0.329093 0.024584
C -0.943306 0.124434 -1.040688
C -2.624736 2.216466 -0.253811
C 3.853185 -2.029128 -0.911109
C 3.320387 -0.462537 0.928132
C -2.252428 -0.058672 -0.469559
C -3.015128 4.521535 -0.028957
C -1.720682 4.796899 -0.599612
C -3.921672 5.650902 0.403920
C -3.878528 -1.905670 0.171808
C -4.895116 -4.090834 0.649497
C -4.820689 -4.241956 2.171658
H 1.184074 0.166296 -3.066984
H 2.435272 1.414925 -2.931754
H 0.911952 2.786774 -1.831724
H 3.005890 -1.526099 -2.843782
H 2.069296 1.231725 0.378548
H -0.335471 -0.745417 -1.306950
H 4.329393 -2.958644 -1.238661
H 3.391815 -0.209832 1.990859
H -1.377785 5.828190 -0.733452
H -1.991972 -2.123495 -0.564499
H -4.142424 6.334566 -0.436974
H -4.866833 5.233731 0.782455
H -3.453696 6.255369 1.203488
H 7.240644 -2.840974 1.223433
H 6.884891 -1.628188 2.398159
H -4.813551 -5.060243 0.131783
H -5.822935 -3.574911 0.344478
H -4.914474 -3.260390 2.665838
H -3.867330 -4.707704 2.475792
H -5.648460 -4.885329 2.524158


