%chk=000264726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264726

0 1
S 4.064248 -1.101367 0.327596
O -5.218999 -0.847855 -1.130113
N -2.957283 0.106855 0.311651
N -0.647150 0.454162 0.874501
N 0.935237 -1.149790 1.342858
N 0.762704 1.954468 -0.563469
N 3.056205 1.129085 -0.770995
C -2.901891 -0.060835 -1.177179
C -4.347806 0.449863 0.753795
C -1.967866 1.119620 0.791591
C -3.886361 -1.169670 -1.579607
C -5.288432 -0.679970 0.298423
C 0.519649 0.850202 0.215328
C -0.341393 -0.785031 1.521124
C 1.512047 -0.157618 0.535102
C 2.801968 0.047323 -0.002980
C 2.036123 2.029684 -1.018208
C 5.517834 -0.429193 -0.551636
C 6.641882 -1.405020 -0.285376
H -3.141867 0.876354 -1.725145
H -1.866274 -0.351704 -1.461116
H -4.363599 0.526903 1.861798
H -4.703732 1.419996 0.343382
H -2.248876 1.466371 1.817873
H -1.866332 2.021231 0.133127
H -4.014521 -1.236427 -2.674554
H -3.592413 -2.150726 -1.166046
H -5.043144 -1.638749 0.789088
H -6.351088 -0.425416 0.458617
H -1.095646 -1.329000 2.077957
H 2.298329 2.892712 -1.651705
H 5.294813 -0.327428 -1.631576
H 5.747422 0.589286 -0.182269
H 6.874377 -1.497979 0.785095
H 6.422256 -2.413934 -0.662752
H 7.565980 -1.075303 -0.782482


%chk=000264726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264726

0 1
S 4.129176 -1.211040 0.402183
O -5.309923 -0.764733 -1.202074
N -3.013983 0.126615 0.315527
N -0.661593 0.330729 0.854871
N 0.918448 -1.261191 1.363590
N 0.735449 1.871413 -0.497272
N 3.049551 1.080544 -0.690990
C -2.899992 -0.173877 -1.137807
C -4.383399 0.589213 0.661936
C -1.959724 1.027295 0.804742
C -3.949568 -1.225064 -1.529934
C -5.404165 -0.481423 0.238353
C 0.525931 0.753948 0.250992
C -0.364537 -0.879220 1.502606
C 1.497601 -0.245524 0.578861
C 2.804120 -0.031198 0.064515
C 2.025394 1.959966 -0.933289
C 5.566142 -0.386193 -0.534490
C 6.806653 -1.278466 -0.398181
H -3.048893 0.747838 -1.751312
H -1.887928 -0.565689 -1.347626
H -4.447556 0.748824 1.755512
H -4.636695 1.551672 0.153684
H -2.238309 1.365451 1.820129
H -1.792111 1.926350 0.167781
H -3.950724 -1.396667 -2.618452
H -3.738089 -2.179181 -1.001250
H -5.226639 -1.412891 0.818084
H -6.436147 -0.131360 0.404182
H -1.128293 -1.438413 2.037096
H 2.276363 2.831264 -1.544720
H 5.243513 -0.262102 -1.579463
H 5.710448 0.612856 -0.095426
H 7.105106 -1.404406 0.657740
H 6.637435 -2.280022 -0.831866
H 7.653339 -0.814218 -0.936534


