%chk=000214657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214657

0 1
S -0.703720 0.876901 -1.034928
S -3.147901 2.196030 1.047733
P -2.299994 0.654479 0.324566
O -3.121313 -0.333801 -0.707865
O -1.768819 -0.288253 1.545703
O 2.696858 0.846415 -0.899436
N 1.947826 -0.273357 0.899598
N 3.111046 -0.856902 0.504720
C 0.578987 1.708633 -0.020040
C 1.676568 0.745769 0.074377
C 4.769168 -0.376609 -1.426240
C 3.577138 -0.206599 -0.569194
C -4.587233 -0.257261 -0.689755
C -1.248148 -1.632475 1.257138
C 4.573514 -1.525876 -2.411990
C -4.982625 -1.318478 -1.697989
C -0.570379 -2.007218 2.558742
H 0.878717 2.640063 -0.555512
H 0.232005 2.032709 0.989647
H 5.658724 -0.571134 -0.780853
H 4.982028 0.570598 -1.972335
H -4.957813 -0.484137 0.327042
H -4.901778 0.756945 -1.004187
H -2.114578 -2.277291 1.021979
H -0.536037 -1.606820 0.411954
H 4.377793 -2.474426 -1.891788
H 5.467489 -1.668885 -3.031363
H 3.728145 -1.343641 -3.088102
H -6.066942 -1.332382 -1.858866
H -4.496626 -1.140239 -2.668675
H -4.671103 -2.319980 -1.372777
H -0.396840 -3.085910 2.629275
H 0.405278 -1.502423 2.659537
H -1.176333 -1.696345 3.422284


%chk=000214657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214657

0 1
S -0.712094 0.572064 -1.406510
S -3.028849 2.362295 0.948281
P -2.336225 0.557320 0.242551
O -3.403627 -0.484246 -0.653598
O -1.722757 -0.408919 1.533395
O 2.814268 0.698369 -1.039831
N 2.030577 0.152006 1.029744
N 3.315857 -0.489161 0.839219
C 0.579330 1.630932 -0.453875
C 1.770798 0.831405 -0.085383
C 5.000798 -0.531202 -1.079861
C 3.741997 -0.147288 -0.376715
C -4.879865 -0.243932 -0.596403
C -1.170200 -1.779958 1.275462
C 4.743863 -1.310793 -2.395988
C -5.496194 -1.209430 -1.603473
C -0.313234 -2.120803 2.489748
H 0.841368 2.457008 -1.130570
H 0.084185 2.034468 0.444069
H 5.590253 -1.141434 -0.374849
H 5.587423 0.381486 -1.298779
H -5.235276 -0.435422 0.433365
H -5.080601 0.813035 -0.852405
H -2.025340 -2.467636 1.143993
H -0.572287 -1.756841 0.343855
H 4.192066 -2.246348 -2.199525
H 5.704990 -1.570871 -2.872258
H 4.156915 -0.705404 -3.107709
H -6.595350 -1.088351 -1.607299
H -5.117191 -1.008247 -2.619469
H -5.261047 -2.254691 -1.340802
H 0.088020 -3.146323 2.381188
H 0.531517 -1.417173 2.566725
H -0.910987 -2.077816 3.416106


