%chk=000259072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259072

0 1
S 2.669203 0.934468 -1.977744
N 1.194267 0.852705 0.165313
N -1.662017 0.754634 0.893156
C 0.178093 1.599809 -0.635253
C 0.775908 0.508186 1.550087
C -1.053507 1.935948 0.222099
C -0.633511 -0.111334 1.562428
C 3.381930 -0.330603 0.384473
C 2.366085 0.472928 -0.397879
C 3.650733 -1.673640 -0.327029
C 4.684680 0.480498 0.545369
C -2.668008 0.024144 0.169749
C 2.434045 -2.593396 -0.304138
C 4.500410 1.700387 1.442355
C -3.167414 0.456161 -1.075706
C -3.251903 -1.103107 0.791825
C -4.226275 -0.224444 -1.678527
C -4.306644 -1.771915 0.172094
C -4.798714 -1.341428 -1.064411
H -0.111883 0.983070 -1.522373
H 0.637568 2.534066 -1.041959
H 0.806007 1.431720 2.174905
H 1.504674 -0.207477 2.007261
H -0.789541 2.660242 1.028463
H -1.813263 2.456785 -0.405212
H -0.593170 -1.124987 1.100951
H -0.965517 -0.240455 2.619199
H 2.993867 -0.564615 1.414947
H 3.964739 -1.488812 -1.377826
H 4.510370 -2.176193 0.157952
H 5.473021 -0.176291 0.962493
H 5.056284 0.798533 -0.453510
H 1.582670 -2.149102 -0.836102
H 2.111411 -2.829285 0.714220
H 2.656110 -3.543892 -0.805606
H 4.163380 1.428608 2.447214
H 5.444684 2.248687 1.551255
H 3.773396 2.405367 1.019445
H -2.738313 1.320814 -1.577558
H -2.905800 -1.440312 1.764843
H -4.604782 0.118862 -2.641474
H -4.753437 -2.638095 0.660123
H -5.619534 -1.869642 -1.541607


%chk=000259072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259072

0 1
S 3.529084 0.928730 -1.896512
N 1.404666 0.101547 -0.411558
N -1.528637 0.015508 -0.195793
C 0.511022 0.629524 -1.475320
C 0.704113 -0.594502 0.707817
C -0.829107 1.109875 -0.894970
C -0.690079 -1.093045 0.277260
C 3.641355 -0.176439 0.690933
C 2.769995 0.251783 -0.499548
C 4.609756 -1.326881 0.288346
C 4.440363 1.044483 1.239902
C -2.923394 0.022630 -0.030070
C 3.897960 -2.620801 -0.158964
C 3.549000 2.189711 1.762082
C -3.680568 1.212609 -0.266754
C -3.632182 -1.150836 0.377296
C -5.079994 1.220300 -0.099730
C -5.031135 -1.122559 0.548776
C -5.772435 0.058249 0.312563
H 0.344631 -0.147545 -2.247364
H 1.040996 1.461697 -1.970559
H 0.598424 0.088085 1.574577
H 1.292526 -1.470034 1.027132
H -0.655156 1.981308 -0.225848
H -1.449425 1.465327 -1.740273
H -0.579997 -1.895491 -0.486029
H -1.156157 -1.552667 1.168108
H 3.006175 -0.540022 1.522748
H 5.255696 -0.954876 -0.529408
H 5.264223 -1.540606 1.157255
H 5.095121 0.676524 2.055389
H 5.093027 1.417353 0.428364
H 3.267166 -2.437581 -1.048390
H 3.256922 -3.032958 0.645405
H 4.633336 -3.400720 -0.427877
H 2.875525 1.844338 2.570812
H 4.164433 3.012967 2.168186
H 2.927921 2.606920 0.948400
H -3.175880 2.139750 -0.555027
H -3.100938 -2.095594 0.530501
H -5.631949 2.149470 -0.284332
H -5.546919 -2.039559 0.857404
H -6.859182 0.071622 0.443377


