%chk=000240892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240892

0 1
S -1.052607 -0.583151 -0.007168
O -5.092269 1.042392 2.304512
O -3.767878 2.186730 1.042452
N 3.859638 -0.424788 0.838540
N 1.897786 -1.629217 0.950626
N 2.966510 1.654786 -0.228800
N 0.518115 1.492485 -0.628128
N 1.770905 3.385486 -1.313019
N -4.454265 1.205032 1.276690
C 6.111968 -0.689121 -0.287466
C 5.299624 -0.128067 0.909368
C 2.873773 0.385261 0.278552
C 5.590231 -0.144464 -1.617218
C 6.135712 -2.219235 -0.286343
C 1.641245 -0.379041 0.367169
C 3.208095 -1.647945 1.213499
C 0.476215 0.254976 -0.108273
C -2.239461 0.601704 -0.716601
C 1.763402 2.146709 -0.684352
C -3.541855 -0.116944 -0.690024
C -4.561315 0.147362 0.246193
C -3.763428 -1.136777 -1.637433
C -5.755187 -0.601422 0.246669
C -4.949695 -1.867039 -1.645096
C -5.950095 -1.601997 -0.699079
H 7.162852 -0.322445 -0.144747
H 5.698404 -0.534537 1.865909
H 5.423568 0.982955 0.948431
H 6.271112 -0.380457 -2.441323
H 4.609416 -0.563617 -1.875151
H 5.463174 0.946018 -1.588301
H 6.794404 -2.600412 -1.076534
H 6.498134 -2.624519 0.663251
H 5.141813 -2.642865 -0.476394
H 3.755530 -2.460081 1.671277
H -1.934134 0.897096 -1.743626
H -2.226915 1.561127 -0.143403
H -2.985897 -1.361118 -2.371769
H -6.521635 -0.389565 1.001265
H -5.100208 -2.652506 -2.388351
H 2.579651 3.978230 -1.188560
H 0.886238 3.854873 -1.450345
H -6.874072 -2.179992 -0.702196


%chk=000240892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240892

0 1
S -0.999480 -0.034704 1.723443
O -6.264957 -0.520604 1.920564
O -5.003981 1.357189 2.160781
N 3.941337 -0.157660 0.708139
N 2.190361 -0.956697 1.976812
N 2.710550 1.437891 -0.725247
N 0.302760 1.457308 -0.215047
N 1.215509 2.841699 -1.870748
N -5.320647 0.271116 1.533146
C 5.792951 -1.017045 -0.822383
C 5.313559 0.047367 0.205014
C 2.797300 0.495817 0.248602
C 4.875519 -1.069119 -2.065547
C 5.959809 -2.417530 -0.188016
C 1.719239 -0.013271 1.044086
C 3.511605 -1.012214 1.745854
C 0.439509 0.525097 0.759460
C -2.365397 1.085051 0.993368
C 1.426007 1.881749 -0.905219
C -3.256375 0.331661 0.029612
C -4.597541 -0.079747 0.281384
C -2.704136 -0.049663 -1.224551
C -5.341350 -0.845701 -0.650372
C -3.439176 -0.787459 -2.171983
C -4.764938 -1.194343 -1.883264
H 6.796162 -0.665180 -1.144863
H 5.997975 0.066556 1.073958
H 5.325093 1.046845 -0.265546
H 5.301566 -1.740342 -2.833239
H 3.873853 -1.453977 -1.799431
H 4.740115 -0.067324 -2.510836
H 6.392279 -3.123438 -0.920034
H 6.630026 -2.391762 0.692293
H 4.984520 -2.830241 0.130421
H 4.211497 -1.635095 2.298584
H -1.804948 1.875382 0.464124
H -2.900653 1.498946 1.853954
H -1.669785 0.246310 -1.431513
H -6.358587 -1.148316 -0.388419
H -2.980317 -1.051892 -3.130662
H 2.009190 3.196849 -2.396061
H 0.281457 3.217126 -2.005038
H -5.340884 -1.774733 -2.610872


