%chk=000260048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260048

0 1
S 0.425503 2.678395 0.000163
O 4.411644 -0.175738 0.000269
O 2.600100 -1.576449 0.000670
N 0.063480 0.085839 0.000210
N 2.411488 0.797148 0.000266
C -1.214011 0.702842 0.000178
C -2.399621 -0.175283 0.000089
C -1.223845 2.072617 0.000100
C 1.029459 0.979668 0.000201
C -2.961115 -0.588569 -1.216995
C -2.962435 -0.587060 1.217073
C -2.356827 3.005453 0.000402
C -4.095023 -1.405444 -1.211800
C -4.096334 -1.403950 1.211656
C -4.664510 -1.810720 -0.000128
C 3.056289 -0.465124 0.000443
C 5.304649 -1.351117 0.000433
C 6.686418 -0.737897 0.000114
H -2.505848 -0.283460 -2.157900
H -2.508217 -0.280763 2.158094
H -2.058269 4.063369 -0.009257
H -3.004295 2.845906 -0.880102
H -2.993206 2.858782 0.891153
H -4.531689 -1.731337 -2.154341
H -4.534023 -1.728677 2.154125
H 3.010098 1.632612 0.000106
H -5.546623 -2.448153 -0.000213
H 5.078931 -1.940574 0.905989
H 5.078705 -1.941007 -0.904785
H 7.463064 -1.513047 0.000189
H 6.844917 -0.101281 -0.881792
H 6.845147 -0.100878 0.881688


%chk=000260048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260048

0 1
S 0.444458 2.803029 0.541476
O 4.393119 -0.162877 -0.040506
O 2.484987 -1.348994 -0.762969
N 0.045063 0.186298 0.162296
N 2.386508 0.811282 0.247256
C -1.240550 0.773219 0.250431
C -2.403078 -0.134467 0.104968
C -1.256891 2.156160 0.446630
C 1.012736 1.056440 0.289300
C -2.223132 -1.357183 -0.602575
C -3.682332 0.147421 0.659548
C -2.400084 3.131307 0.530160
C -3.298835 -2.250092 -0.780376
C -4.757236 -0.750168 0.480187
C -4.574858 -1.948614 -0.246990
C 3.009928 -0.347135 -0.241503
C 5.253270 -1.286756 -0.512611
C 6.695472 -0.888267 -0.217789
H -1.227289 -1.590274 -0.992232
H -3.835560 1.043758 1.267600
H -2.111459 4.124550 0.144822
H -3.250563 2.771697 -0.074661
H -2.757835 3.271064 1.568976
H -3.141213 -3.184121 -1.331195
H -5.733857 -0.519283 0.920689
H 3.022762 1.535470 0.585884
H -5.410618 -2.643806 -0.384174
H 4.950369 -2.204926 0.022404
H 5.068478 -1.438319 -1.591561
H 7.378162 -1.692102 -0.548134
H 6.966561 0.038347 -0.752094
H 6.847518 -0.726555 0.863042


