%chk=000251361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251361

0 1
S -1.801635 -1.359261 0.071841
N 0.979480 -0.602819 0.040434
C -1.215983 0.304076 0.026735
C 2.994677 0.806199 -0.003769
C 0.226664 0.505587 0.015535
C 2.358638 -0.467828 0.031196
C -3.546538 0.570558 0.029685
C -3.469402 -0.842457 0.065585
C -2.237510 1.199558 0.008055
C 2.159357 1.965722 -0.029614
C 0.794831 1.827068 -0.020339
C 4.420432 0.874092 -0.011527
C 5.173613 -0.277941 0.014471
C 3.162123 -1.658882 0.057985
C 4.526305 -1.559432 0.049703
C -4.809293 1.190997 0.019106
C -4.611855 -1.643989 0.090937
C -5.948906 0.395143 0.044311
C -5.852477 -1.012253 0.079976
C 6.666452 -0.236689 0.007021
H -2.132675 2.275304 -0.019998
H 2.624767 2.951367 -0.056547
H 0.134806 2.690832 -0.039423
H 4.893493 1.853768 -0.038354
H 2.650487 -2.623113 0.084581
H 5.147650 -2.454618 0.069786
H -4.883920 2.275448 -0.008370
H -4.534320 -2.728998 0.118409
H -6.934792 0.857617 0.036614
H -6.764702 -1.606821 0.099061
H 7.083088 -0.720779 0.902563
H 7.075353 -0.763667 -0.867653
H 7.065090 0.785910 -0.019497


%chk=000251361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251361

0 1
S -1.830144 -1.479764 0.075570
N 1.006512 -0.654156 0.042546
C -1.222846 0.236460 0.029187
C 3.018853 0.800992 -0.003600
C 0.225949 0.454249 0.017776
C 2.381661 -0.497602 0.032351
C -3.578097 0.572127 0.029741
C -3.529463 -0.862779 0.066554
C -2.256956 1.163094 0.009481
C 2.161380 1.952095 -0.028962
C 0.780470 1.787984 -0.018510
C 4.447799 0.884741 -0.012218
C 5.243804 -0.267205 0.013467
C 3.204945 -1.669727 0.058483
C 4.594382 -1.553085 0.049136
C -4.844664 1.221096 0.017922
C -4.707522 -1.639953 0.091281
C -6.019422 0.447820 0.042475
C -5.951897 -0.974859 0.079070
C 6.759020 -0.195338 0.004913
H -2.102290 2.244835 -0.018678
H 2.605795 2.954125 -0.056474
H 0.114388 2.655000 -0.037446
H 4.917902 1.876446 -0.039655
H 2.702323 -2.641469 0.085670
H 5.219102 -2.454839 0.069332
H -4.896177 2.315611 -0.010072
H -4.662000 -2.734099 0.119215
H -6.998446 0.939543 0.033583
H -6.877830 -1.560501 0.097876
H 7.187716 -0.677838 0.904237
H 7.179725 -0.720944 -0.873798
H 7.119325 0.847640 -0.021957


