%chk=000246739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246739

0 1
S 2.491674 0.594431 0.482413
O 0.206074 1.148961 1.625690
O 2.912256 0.830723 1.842029
O 2.739657 1.592591 -0.523444
O 0.013311 -0.246362 -1.565131
N 0.734162 0.388838 0.542038
N -1.788396 2.205464 2.191838
C -1.435946 0.990403 -0.004203
C -2.703517 1.139988 -0.761267
C -0.257685 0.323621 -0.535422
C 2.981359 -0.958497 -0.039336
C -1.121927 1.459831 1.250967
C -3.912929 0.925608 0.113623
C 2.720565 -1.392848 -1.346456
C 3.666178 -1.800015 0.849278
C 3.849011 -3.490618 -0.880022
C 3.154582 -2.649198 -1.766571
C 4.100965 -3.056560 0.434583
C -4.778524 1.991142 0.400368
C -4.173075 -0.343077 0.656213
C -5.894614 1.787519 1.218020
C -5.287766 -0.541035 1.473066
C 4.307937 -4.833573 -1.337838
C -6.150506 0.523915 1.757248
H -2.719430 0.413057 -1.608554
H -2.731379 2.142684 -1.244502
H 2.159669 -0.751032 -2.042499
H 3.864252 -1.466511 1.875793
H 2.947021 -2.979314 -2.783474
H 4.634379 -3.702131 1.129562
H -4.591959 2.976321 -0.023932
H -3.500589 -1.171606 0.434324
H -1.387522 2.283493 3.118191
H -2.805174 2.212392 2.150479
H -6.568626 2.616325 1.429719
H -5.488473 -1.528153 1.887359
H 4.861419 -5.386987 -0.567401
H 3.456743 -5.464638 -1.637567
H 4.969702 -4.754260 -2.214078
H -7.020876 0.366010 2.390595


%chk=000246739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246739

0 1
S 2.202383 0.352377 0.296228
O -0.144344 0.307143 2.023415
O 2.878711 0.917068 1.661908
O 1.982639 1.335624 -0.984229
O -0.465829 -0.875620 -1.328758
N 0.346051 -0.527668 0.908033
N -1.942197 1.727332 2.496070
C -1.663764 0.593156 0.265140
C -2.823195 1.093313 -0.565510
C -0.636747 -0.299578 -0.216906
C 3.100315 -1.209544 -0.235183
C -1.332830 0.946396 1.565590
C -4.143532 1.166699 0.200741
C 2.788855 -1.765676 -1.487533
C 4.053672 -1.740732 0.645576
C 4.486555 -3.500265 -1.029203
C 3.500151 -2.920580 -1.873886
C 4.751333 -2.896469 0.227500
C -4.826383 2.399958 0.361222
C -4.709662 -0.001801 0.777176
C -6.047508 2.466440 1.075253
C -5.927715 0.060405 1.487782
C 5.234069 -4.745451 -1.468870
C -6.601748 1.296316 1.641117
H -2.916081 0.411541 -1.432920
H -2.584199 2.090914 -0.984514
H 2.011495 -1.327397 -2.120592
H 4.249324 -1.262484 1.610381
H 3.279471 -3.381513 -2.843486
H 5.507974 -3.332504 0.889255
H -4.407518 3.309647 -0.087244
H -4.188748 -0.960224 0.663572
H -1.486946 1.909702 3.388849
H -2.888518 2.067451 2.323821
H -6.564038 3.426836 1.183423
H -6.353680 -0.852097 1.919865
H 5.979522 -5.059221 -0.719218
H 4.538654 -5.590413 -1.629092
H 5.763766 -4.576369 -2.424682
H -7.547754 1.344188 2.191608


