%chk=000217557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217557

0 1
S -6.502669 0.816967 -1.346362
N -4.829825 -0.041513 0.572423
C 3.995749 0.260919 -0.257565
C 4.369485 -1.125007 0.307146
C 5.123439 1.273009 0.038147
C 2.662975 0.765725 0.331886
C 5.707910 -1.612953 -0.263661
C 6.463916 0.788965 -0.531720
C 6.830480 -0.601193 0.006714
C 1.456688 -0.016804 -0.203397
C 0.140725 0.510331 0.384696
C -1.065937 -0.271932 -0.151638
C -2.378661 0.256029 0.439398
C -3.582890 -0.532105 -0.103068
C -5.947794 -1.033465 0.503821
C -5.320813 1.232194 0.024778
C -6.721452 -0.913314 -0.815086
H 3.887357 0.172941 -1.365968
H 3.572301 -1.854659 0.074406
H 4.427915 -1.077738 1.410700
H 5.214827 1.425801 1.129813
H 4.869400 2.259441 -0.390528
H 2.538407 1.840235 0.094781
H 2.692149 0.707173 1.436316
H 5.611657 -1.782368 -1.353127
H 5.969395 -2.592715 0.176927
H 7.261486 1.512572 -0.281007
H 6.412357 0.759986 -1.636985
H 7.024210 -0.540808 1.094724
H 7.772692 -0.949092 -0.454847
H 1.428218 0.046713 -1.308357
H 1.570739 -1.092667 0.033530
H 0.169902 0.446168 1.489707
H 0.027321 1.586105 0.149039
H -0.949691 -1.347409 0.084632
H -1.094464 -0.206153 -1.256702
H -2.491549 1.333610 0.212933
H -2.359597 0.187068 1.545840
H -3.454656 -1.610902 0.132820
H -3.632959 -0.454028 -1.210728
H -6.619581 -0.821617 1.368186
H -5.560505 -2.061461 0.656209
H -4.518827 1.884704 -0.366571
H -5.876168 1.783114 0.811728
H -7.795561 -1.130262 -0.692206
H -6.331504 -1.586800 -1.596678


%chk=000217557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217557

0 1
S -6.381105 0.824475 -1.629845
N -4.952710 0.004046 0.607566
C 4.035494 0.252231 -0.280060
C 4.451050 -1.161871 0.205762
C 5.159616 1.274366 0.036927
C 2.686221 0.719299 0.324044
C 5.819633 -1.599225 -0.370897
C 6.527967 0.844114 -0.541808
C 6.925902 -0.567052 -0.048221
C 1.451652 -0.101973 -0.113584
C 0.125227 0.472826 0.432991
C -1.120171 -0.323841 -0.016627
C -2.440652 0.257852 0.537332
C -3.674798 -0.518269 0.037618
C -6.094589 -0.935673 0.501101
C -5.397538 1.259625 0.056510
C -6.628911 -0.938176 -0.974497
H 3.920769 0.209660 -1.387222
H 3.677277 -1.904981 -0.068035
H 4.508010 -1.152004 1.315729
H 5.246293 1.378621 1.139861
H 4.876879 2.272215 -0.354852
H 2.521234 1.780575 0.039989
H 2.762735 0.704575 1.432604
H 5.733465 -1.705478 -1.472610
H 6.097254 -2.595963 0.024765
H 7.307647 1.581149 -0.266233
H 6.469899 0.838248 -1.650380
H 7.086171 -0.536246 1.049825
H 7.886206 -0.877634 -0.504473
H 1.408084 -0.132139 -1.222815
H 1.554932 -1.152897 0.224048
H 0.165695 0.496547 1.542071
H 0.021165 1.528127 0.103948
H -1.016019 -1.380280 0.308670
H -1.160064 -0.341933 -1.125990
H -2.515786 1.323275 0.239724
H -2.433164 0.238368 1.644401
H -3.583962 -1.574681 0.354027
H -3.700807 -0.502983 -1.077587
H -6.899218 -0.584333 1.172989
H -5.787760 -1.945314 0.823380
H -4.573889 1.938112 -0.200978
H -6.139133 1.750497 0.703106
H -7.700446 -1.190284 -1.013842
H -6.059159 -1.632768 -1.613331


