%chk=000268245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268245

0 1
S 2.791420 -0.028718 -0.906798
O 0.245437 0.148919 -1.466446
O 2.315313 1.231879 -1.482180
O 4.232315 -0.134869 -0.720292
N 2.333707 -1.362343 -1.881537
C -0.397494 0.128721 -0.181212
C 0.653710 -0.231280 0.882369
C -1.036748 1.494228 0.039078
C -1.406912 -1.016501 -0.268126
C 2.023024 -0.332605 0.624609
C 0.177557 -0.483218 2.183642
C 2.899006 -0.699623 1.661533
C -2.115295 1.863782 -0.782893
C -2.607561 -0.979718 0.454716
C -0.544984 2.405847 0.980650
C -1.113310 -2.127474 -1.071113
C 1.052774 -0.842916 3.206619
C 2.423920 -0.953941 2.946434
C -2.706706 3.120409 -0.646071
C -3.504141 -2.048741 0.374490
C -1.140753 3.664778 1.116458
C -2.013745 -3.193134 -1.150876
C -2.221926 4.022947 0.307542
C -3.209463 -3.156402 -0.427001
C 3.280988 -1.716999 -2.964185
H -0.889837 -0.402519 2.394512
H 3.977873 -0.783971 1.459359
H -2.486841 1.163223 -1.533696
H -2.852055 -0.116635 1.074322
H 0.310671 2.152932 1.608313
H -0.179629 -2.153070 -1.639380
H 0.519544 1.097246 -1.735534
H 0.669560 -1.039754 4.208695
H 3.113200 -1.237802 3.740068
H 1.348536 -1.385912 -2.208543
H -3.542690 3.399940 -1.285477
H -4.435855 -2.016784 0.936933
H -0.752093 4.368885 1.850936
H -1.781158 -4.053175 -1.776929
H -2.682504 5.004037 0.413354
H -3.909743 -3.987554 -0.487659
H 4.320829 -1.717286 -2.578997
H 3.237595 -1.040403 -3.833454
H 3.065267 -2.742126 -3.311732


%chk=000268245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268245

0 1
S 2.897679 0.140839 -0.975910
O 0.097493 0.003722 -1.579562
O 2.269368 1.549665 -1.584878
O 4.495680 0.127254 -0.688358
N 2.570897 -1.352709 -2.028509
C -0.473759 0.036907 -0.212332
C 0.608233 -0.335464 0.843116
C -1.046522 1.454037 0.016803
C -1.559870 -1.065597 -0.207012
C 2.009497 -0.346567 0.653739
C 0.170068 -0.709417 2.145048
C 2.937165 -0.699319 1.652209
C -1.973333 1.948247 -0.941089
C -2.828627 -0.875363 0.389654
C -0.657107 2.294899 1.085450
C -1.249011 -2.329079 -0.770655
C 1.069910 -1.061246 3.170093
C 2.461838 -1.058967 2.928959
C -2.503594 3.248623 -0.824540
C -3.777925 -1.923977 0.408518
C -1.189749 3.599988 1.203213
C -2.196256 -3.373830 -0.756911
C -2.114749 4.081477 0.252267
C -3.466984 -3.175812 -0.165983
C 3.520530 -1.483284 -3.160779
H -0.906493 -0.735070 2.340420
H 4.007084 -0.679660 1.418079
H -2.263529 1.307250 -1.780247
H -3.085429 0.094492 0.828689
H 0.068605 1.946274 1.826430
H -0.265598 -2.490403 -1.223392
H 0.617920 0.860878 -1.732521
H 0.682666 -1.342547 4.155110
H 3.169405 -1.336299 3.716581
H 1.564854 -1.249052 -2.280048
H -3.214524 3.614836 -1.573481
H -4.758375 -1.759099 0.869325
H -0.871933 4.240654 2.033220
H -1.943860 -4.342806 -1.202048
H -2.522464 5.094477 0.342114
H -4.203012 -3.987455 -0.153977
H 4.548834 -1.403051 -2.770868
H 3.378989 -0.744200 -3.974226
H 3.386791 -2.501946 -3.567212


