%chk=000244996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244996

0 1
S -0.605958 -0.401014 -0.556332
N 4.373216 -0.254734 -0.833842
N 2.349777 0.078077 -1.884900
N 3.522148 -0.972811 1.406770
N 1.036423 -1.026799 1.460958
N 2.338805 -1.506219 3.382933
C 6.370072 1.176341 -0.220298
C 5.826505 -0.225540 -0.603694
C 3.390660 -0.544612 0.111016
C 5.687998 1.711140 1.039014
C 6.246126 2.166728 -1.380339
C 2.122229 -0.343291 -0.565977
C -3.122883 -0.741072 0.121682
C 3.677271 0.137874 -2.026892
C -3.852797 0.494553 0.258330
C -1.781615 -0.874744 0.759682
C 0.957304 -0.609646 0.184125
C -3.673144 -1.793363 -0.596230
C -5.133199 0.615955 -0.341705
C -4.963907 -1.651714 -1.197079
C -5.672915 -0.487131 -1.075037
C -3.335938 1.617963 0.982300
C 2.312458 -1.174118 2.033782
C -2.957522 -3.093018 -0.777292
C -5.867188 1.837507 -0.209644
C -4.057313 2.779863 1.094467
C -5.342823 2.893846 0.491144
H 7.460210 1.033265 0.003224
H 6.337822 -0.595374 -1.520587
H 6.062258 -0.947187 0.217612
H 6.195205 2.602453 1.421685
H 4.642074 1.986666 0.852344
H 5.671563 0.962203 1.842020
H 6.723064 3.122607 -1.131014
H 6.720688 1.793543 -2.292801
H 5.197879 2.391907 -1.613507
H 4.211262 0.424995 -2.921479
H -1.648625 -0.220368 1.646341
H -1.569462 -1.902202 1.118335
H -5.371606 -2.491861 -1.758052
H -6.655286 -0.380227 -1.533745
H -2.349151 1.537999 1.442140
H -2.629813 -3.517128 0.182621
H -3.574957 -3.854390 -1.270153
H -2.054977 -2.961992 -1.397150
H -6.847534 1.909120 -0.678123
H -3.658487 3.632076 1.642718
H -5.892287 3.827216 0.595816
H 3.210519 -1.823539 3.781194
H 1.492154 -1.857105 3.806021


%chk=000244996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244996

0 1
S -0.610566 -0.024857 -0.767254
N 4.439462 -0.105754 -0.877165
N 2.477980 0.411203 -1.971306
N 3.504752 -1.010129 1.226796
N 1.039760 -0.953176 1.238439
N 2.253984 -1.802705 3.050377
C 6.592313 1.029614 -0.115642
C 5.880795 -0.264020 -0.606053
C 3.403329 -0.454764 -0.008369
C 5.953189 1.578822 1.180452
C 6.661438 2.116677 -1.213290
C 2.194213 -0.125399 -0.700331
C -3.211086 -0.647514 0.122613
C 3.819169 0.404276 -2.037326
C -4.029033 0.543641 0.223244
C -1.789161 -0.637919 0.624233
C 0.990250 -0.402659 -0.001234
C -3.747841 -1.830191 -0.434200
C -5.413687 0.495752 -0.204960
C -5.116597 -1.848906 -0.860032
C -5.932684 -0.725732 -0.740902
C -3.523409 1.792825 0.722344
C 2.276396 -1.236077 1.794122
C -2.910862 -3.088669 -0.595801
C -6.233549 1.667175 -0.093947
C -4.343062 2.920831 0.813788
C -5.713616 2.860170 0.409541
H 7.630888 0.710356 0.116539
H 6.366539 -0.633504 -1.528884
H 5.966398 -1.047733 0.167971
H 6.548713 2.420253 1.579179
H 4.930122 1.950730 0.987720
H 5.881837 0.798254 1.958768
H 7.247973 2.984474 -0.860781
H 7.140799 1.736983 -2.135856
H 5.651736 2.484612 -1.473516
H 4.399406 0.738111 -2.894812
H -1.629310 0.027829 1.484287
H -1.421813 -1.636235 0.897274
H -5.519459 -2.775378 -1.285867
H -6.979251 -0.762126 -1.066478
H -2.471918 1.875239 1.014299
H -2.659624 -3.543885 0.382116
H -3.455190 -3.847482 -1.182924
H -1.956452 -2.878355 -1.112920
H -7.279731 1.609117 -0.418202
H -3.932502 3.864051 1.191169
H -6.345002 3.751875 0.489098
H 3.131304 -2.030874 3.508424
H 1.358968 -1.976127 3.497663


