%chk=000234530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234530

0 1
S 4.032531 0.811179 0.003831
O -1.045408 1.965253 0.538820
N 6.616368 0.308057 -0.291125
N 5.112822 -1.611710 -0.143357
C 1.358546 0.679164 0.123968
C 0.048579 -0.120555 0.122207
C 2.553125 -0.254726 0.015756
C -1.155684 0.782407 0.294454
C -2.504683 0.152278 0.128638
C -2.719272 -1.224845 0.278283
C -3.586618 0.994805 -0.174544
C -4.002328 -1.754257 0.116409
C -4.867444 0.462764 -0.341548
C -5.075442 -0.912442 -0.196768
C 5.382051 -0.354171 -0.131508
H 1.341411 1.412431 -0.711339
H 1.408535 1.296605 1.048384
H 0.061634 -0.874514 0.937009
H -0.046816 -0.697429 -0.821136
H 2.614650 -0.968129 0.861232
H 2.531565 -0.869750 -0.905738
H -1.894347 -1.891288 0.527867
H -3.414496 2.070845 -0.271936
H -4.167247 -2.823978 0.235097
H -5.702406 1.119971 -0.580226
H -6.074170 -1.329070 -0.325267
H 7.455195 -0.191803 -0.032608
H 6.671931 1.297101 -0.088194
H 5.848118 -2.305092 -0.232359


%chk=000234530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234530

0 1
S 4.161605 0.936300 0.017278
O -1.126880 2.117945 0.012747
N 6.714191 0.100055 0.004358
N 5.030816 -1.664688 -0.032526
C 1.361434 0.817616 0.010197
C 0.061054 -0.011025 0.005841
C 2.585352 -0.110846 0.011121
C -1.204634 0.854286 0.006727
C -2.546447 0.171238 0.000494
C -2.685853 -1.243240 -0.005333
C -3.715529 0.980713 0.000616
C -3.967745 -1.833957 -0.010857
C -4.994570 0.390951 -0.004993
C -5.124154 -1.019428 -0.010740
C 5.420031 -0.418604 -0.007356
H 1.375276 1.482484 -0.872608
H 1.370716 1.479554 0.895273
H 0.031045 -0.683444 0.888432
H 0.033659 -0.678608 -0.880417
H 2.630017 -0.758124 0.901736
H 2.635865 -0.753870 -0.882133
H -1.800770 -1.887838 -0.005546
H -3.587369 2.068373 0.005174
H -4.066840 -2.924937 -0.015237
H -5.889367 1.022952 -0.004935
H -6.118607 -1.479713 -0.015101
H 7.516015 -0.526761 -0.012854
H 6.882930 1.104231 0.028968
H 5.799462 -2.362512 -0.044027


