%chk=000203390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203390

0 1
S 0.419673 -1.733063 0.558166
O -1.008781 0.657339 0.733101
O -3.063469 1.048749 1.573810
N 1.243929 3.449884 -0.486878
C -0.908898 3.115633 0.729406
C -0.238935 3.269004 -0.644921
C -0.491866 1.833222 1.437698
C -1.895036 -1.616337 -0.694528
C -2.738427 -0.869409 0.150580
C 1.935942 3.186843 -1.785296
C 1.570410 4.824031 -0.001063
C -0.478897 -1.231997 -0.955072
C -2.337861 0.354132 0.889673
C -2.407083 -2.768808 -1.321987
C -4.071238 -1.281983 0.351608
C -3.726397 -3.167166 -1.115647
C -4.565285 -2.421049 -0.277723
C 2.071128 -1.225482 0.193010
C 2.410696 0.127844 0.200130
C 3.030487 -2.214719 -0.034475
C 3.739168 0.498639 -0.031427
C 4.358726 -1.835581 -0.258488
C 4.711454 -0.481386 -0.259622
H -2.013257 3.130472 0.607575
H -0.668147 3.982163 1.378298
H -0.720403 4.098967 -1.204234
H -0.419103 2.340860 -1.233286
H -0.837761 1.795267 2.483818
H 0.603540 1.638294 1.364757
H 3.019629 3.336377 -1.656488
H 1.602968 3.814144 -2.624681
H 1.789215 2.128862 -2.058636
H 2.654043 4.888834 0.185682
H 1.288382 5.636764 -0.686004
H 1.065229 4.995574 0.963577
H -0.363126 -0.137823 -1.119375
H -0.046499 -1.737201 -1.837947
H -1.759515 -3.361274 -1.967860
H -4.713710 -0.690522 1.013680
H -4.107014 -4.063647 -1.606089
H -5.595866 -2.732293 -0.116864
H 1.652685 0.902777 0.393698
H 2.754262 -3.269429 -0.035050
H 4.010998 1.553388 -0.026066
H 5.117580 -2.596155 -0.432114
H 5.745630 -0.190443 -0.435345


%chk=000203390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203390

0 1
S 0.617897 -2.169042 0.482770
O -1.085508 0.875920 0.692754
O -3.124361 0.923533 1.800924
N 1.049386 3.363371 -0.664083
C -1.025190 3.365234 0.796002
C -0.429666 3.498716 -0.622187
C -0.640463 2.056638 1.496603
C -1.870726 -1.600404 -0.690815
C -2.735695 -0.831801 0.156340
C 1.535355 3.158274 -2.046892
C 1.751265 4.485919 -0.004818
C -0.401724 -1.328690 -0.917833
C -2.360087 0.381124 0.960573
C -2.422572 -2.727319 -1.357684
C -4.099611 -1.215816 0.294231
C -3.775823 -3.096008 -1.216640
C -4.623242 -2.332176 -0.382360
C 2.293355 -1.457457 0.183642
C 2.505568 -0.069714 -0.005256
C 3.398589 -2.343757 0.221949
C 3.821814 0.420390 -0.162261
C 4.713135 -1.841146 0.084402
C 4.930002 -0.457742 -0.113505
H -2.126625 3.439188 0.730716
H -0.693276 4.202424 1.441445
H -0.763396 4.474033 -1.062475
H -0.851801 2.696539 -1.255811
H -1.096151 1.989900 2.499031
H 0.452477 1.937199 1.545320
H 2.627771 2.994785 -2.039329
H 1.321218 4.024539 -2.722545
H 1.060556 2.259985 -2.479829
H 2.841703 4.314262 -0.045878
H 1.537395 5.475530 -0.483300
H 1.463420 4.552451 1.058231
H -0.164436 -0.260351 -0.879318
H -0.061539 -1.778184 -1.863872
H -1.762823 -3.326542 -1.995954
H -4.730540 -0.611292 0.953501
H -4.163333 -3.971193 -1.749648
H -5.676601 -2.604968 -0.259581
H 1.670722 0.639548 -0.018681
H 3.227223 -3.417477 0.353571
H 3.974902 1.496450 -0.303907
H 5.562326 -2.532919 0.120835
H 5.948314 -0.069657 -0.227279


