%chk=000261452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261452

0 1
S 4.665635 -0.537324 -0.005010
O 5.152067 -0.113494 1.294435
O 4.973660 -1.859402 -0.517406
N -3.233653 0.074881 -1.011838
N -1.995535 -0.298162 -0.711450
N -1.149844 0.603689 -0.374407
N 5.364307 0.561294 -1.133718
C -4.864357 -1.305354 0.439809
C -4.240371 -1.025387 -0.952232
C -5.843888 -0.208901 0.865431
C -3.795704 -1.533560 1.508787
C -3.737832 1.467212 -0.886230
C 2.977085 -0.249474 -0.117123
C 0.227549 0.223277 -0.298934
C 2.373138 0.705920 0.712986
C 2.201706 -0.971769 -1.031463
C 1.006401 0.949156 0.629954
C 0.830850 -0.742959 -1.129711
H -5.447509 -2.258482 0.323453
H -3.754289 -1.960537 -1.322635
H -5.040842 -0.772675 -1.683384
H -6.356923 -0.482576 1.795715
H -6.614546 -0.031312 0.108682
H -5.333153 0.745025 1.053193
H -3.261994 -0.609721 1.764002
H -3.039062 -2.256544 1.179267
H -4.235632 -1.916831 2.436246
H -2.948206 2.189586 -1.169362
H -4.051001 1.701577 0.147695
H -4.593624 1.614523 -1.561914
H 2.979026 1.258298 1.440863
H 2.670632 -1.731056 -1.668312
H 0.530354 1.692859 1.268795
H 0.227663 -1.306804 -1.839585
H 5.927716 1.325886 -0.769966
H 5.821276 0.174642 -1.955937


%chk=000261452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261452

0 1
S 4.737015 -0.379785 0.161833
O 5.403115 0.761030 1.117640
O 4.904804 -1.980278 0.425299
N -3.291570 0.339339 -0.733331
N -1.994439 -0.039352 -0.647604
N -1.182390 0.946918 -0.299053
N 5.403036 -0.076473 -1.534742
C -4.922136 -1.447834 0.116669
C -4.247626 -0.728590 -1.089482
C -5.784704 -0.494761 0.977095
C -3.889434 -2.204998 0.982306
C -3.705709 1.735464 -0.495663
C 2.910211 -0.005754 -0.000815
C 0.184473 0.542958 -0.221115
C 2.474570 1.303413 0.262042
C 2.044297 -1.055916 -0.356507
C 1.096703 1.570231 0.148901
C 0.670812 -0.776702 -0.466534
H -5.600797 -2.196777 -0.345793
H -3.685193 -1.470164 -1.683456
H -5.025276 -0.282526 -1.738318
H -6.325987 -1.062481 1.755382
H -6.537194 0.042060 0.368313
H -5.156379 0.254892 1.491948
H -3.173077 -1.507186 1.452328
H -3.306852 -2.925924 0.380290
H -4.398147 -2.763931 1.788962
H -3.158960 2.411668 -1.177892
H -3.458817 2.048438 0.535073
H -4.789764 1.813496 -0.664678
H 3.187100 2.075965 0.567093
H 2.439224 -2.064245 -0.517483
H 0.699206 2.570679 0.345025
H -0.037360 -1.564144 -0.738130
H 6.093273 0.690235 -1.466911
H 5.815074 -0.963461 -1.869998


