%chk=000269402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269402

0 1
S 0.223577 -1.796212 1.775329
O 0.199622 -1.283705 3.123393
O -0.235504 -3.146491 1.553121
N -0.649978 -0.690371 0.757334
C 0.227671 0.160918 -0.107266
C 1.631303 -0.473436 0.035137
C 1.729263 -1.488251 1.003322
C 0.383889 1.591902 0.420551
C -0.284413 0.067395 -1.544281
C -2.076394 -0.600996 0.745166
C 2.745280 -0.090960 -0.699917
C 2.940977 -2.121265 1.246075
C 3.980039 -0.729633 -0.457179
C 0.829286 2.607438 -0.441111
C -1.183631 1.013733 -2.056501
C 0.161690 1.890161 1.772582
C 0.099064 -1.016932 -2.349552
C 4.071019 -1.740482 0.512935
C -2.822711 -1.794633 0.842278
C -2.738440 0.638326 0.674279
C 5.182104 -0.315196 -1.236630
C 1.020466 3.905887 0.036645
C -1.665975 0.895623 -3.363146
C 0.353794 3.191389 2.247251
C -0.383692 -1.132403 -3.655633
C 0.779647 4.202565 1.382033
C -1.263904 -0.174228 -4.167616
C -4.214529 -1.732558 0.877056
C -4.134443 0.676231 0.700642
C -4.877785 -0.501895 0.803919
H 2.671864 0.693389 -1.451703
H 3.019905 -2.910046 1.998321
H 1.028666 2.390503 -1.490730
H -1.523817 1.843672 -1.434477
H -0.161790 1.111925 2.473706
H 0.766875 -1.785814 -1.959549
H 5.024236 -2.231721 0.700296
H -2.323883 -2.768808 0.882615
H -2.174604 1.566338 0.612988
H 5.484598 0.712251 -0.978562
H 6.054469 -0.958714 -1.058663
H 4.989710 -0.328869 -2.320021
H 1.359428 4.687713 -0.640723
H -2.364303 1.636236 -3.749885
H 0.172767 3.411474 3.299140
H -0.079446 -1.977194 -4.271667
H 0.927117 5.214806 1.753751
H -1.641301 -0.266374 -5.184361
H -4.789583 -2.655153 0.956954
H -4.644591 1.637253 0.646649
H -5.963306 -0.464787 0.828707


%chk=000269402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269402

0 1
S 0.172118 -1.776525 1.887463
O 0.159741 -1.166157 3.400592
O -0.291900 -3.329100 1.736848
N -0.694770 -0.683176 0.654408
C 0.225986 0.169235 -0.161031
C 1.625562 -0.468517 0.017280
C 1.774364 -1.433093 1.019542
C 0.378808 1.626007 0.379794
C -0.267774 0.074483 -1.625972
C -2.120648 -0.598618 0.712977
C 2.773234 -0.105569 -0.716422
C 2.985761 -2.062090 1.336252
C 4.027129 -0.710473 -0.446678
C 0.812600 2.679036 -0.465777
C -1.198517 1.006486 -2.149569
C 0.222604 1.882035 1.764942
C 0.100118 -1.037974 -2.425031
C 4.119274 -1.687994 0.582471
C -2.875381 -1.803331 0.658621
C -2.798561 0.645336 0.829433
C 5.255499 -0.306205 -1.241308
C 1.059789 3.967043 0.058277
C -1.723607 0.847200 -3.450635
C 0.472559 3.169246 2.288230
C -0.421972 -1.198156 -3.725376
C 0.889108 4.219674 1.438425
C -1.334650 -0.252302 -4.247327
C -4.283273 -1.756985 0.727802
C -4.208431 0.680166 0.860216
C -4.958556 -0.517367 0.818308
H 2.692002 0.646676 -1.509064
H 3.048515 -2.814604 2.128055
H 0.951448 2.501621 -1.537701
H -1.524797 1.855800 -1.541955
H -0.086136 1.076131 2.441835
H 0.789851 -1.790502 -2.027610
H 5.086154 -2.157788 0.793688
H -2.351316 -2.758565 0.561299
H -2.228481 1.574365 0.906549
H 5.545847 0.737389 -1.016323
H 6.119536 -0.951277 -1.009897
H 5.068414 -0.363975 -2.329016
H 1.385113 4.770891 -0.611800
H -2.443934 1.577460 -3.835526
H 0.344480 3.347670 3.361556
H -0.123839 -2.063919 -4.327045
H 1.080720 5.218490 1.845965
H -1.743163 -0.376923 -5.256320
H -4.853393 -2.692033 0.693360
H -4.720032 1.646211 0.939300
H -6.052896 -0.485432 0.856894


