%chk=000196042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196042

0 1
S 2.752996 -3.405304 -2.247203
P 2.932530 -1.660622 -1.674522
P 3.971440 -0.143959 0.545551
O -1.068759 0.640586 -1.621772
O 0.081311 3.613758 -2.156260
O 2.089870 1.960074 -1.929766
O 1.956854 -1.076435 -0.395612
O 4.203245 -1.236121 -0.699248
O 2.801924 -0.495414 -2.783003
O -4.419510 0.189915 3.840517
O 3.161596 -0.877573 1.735700
O 5.454110 -0.174932 1.205628
O 3.540352 1.176695 0.026103
N -2.047840 1.819086 0.153257
N -2.740182 -0.619644 0.129774
N -2.924877 2.363940 2.203766
N -4.058883 -1.242667 2.085855
N -3.893490 -2.725110 0.234577
C -0.038737 2.755842 -1.042546
C 1.042048 1.644990 -0.998253
C -1.381185 1.967016 -1.158885
C 0.355794 0.369107 -1.526626
C 0.550032 -0.836855 -0.596078
C -2.663228 0.671561 0.669921
C -2.252658 2.840065 1.154438
C -3.193867 1.021480 1.935926
C -3.940738 0.042226 2.750208
C -3.586243 -1.512280 0.894688
H -0.002171 3.437979 -0.163061
H 1.472643 1.533555 0.026055
H -2.083763 2.382194 -1.924460
H 0.644329 0.151931 -2.588360
H 0.055801 -1.747446 -0.983837
H 0.170352 -0.636944 0.428525
H 0.662220 3.208423 -2.858593
H 2.884120 2.312027 -1.402304
H -1.903982 3.851702 1.012823
H -2.572895 -0.747404 -0.872831
H -3.135597 -3.192006 -0.247608
H -4.441555 -3.376440 0.802409
H 2.818863 0.515826 -2.462133
H 2.347304 -1.424983 1.498328
H 6.084324 0.556263 0.945416


%chk=000196042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196042

0 1
S 3.667290 -3.297621 -2.585089
P 3.405305 -1.443878 -1.816380
P 4.536385 0.181926 0.603933
O -1.137462 0.251859 -1.455685
O -0.080663 2.893635 -2.607643
O 2.194533 1.769732 -1.563401
O 2.190532 -1.190889 -0.506048
O 4.711465 -0.895983 -0.741136
O 3.087465 -0.181024 -2.866958
O -4.643166 0.508786 3.994489
O 3.644344 -0.669758 1.755473
O 6.050580 0.196958 1.334483
O 4.014819 1.638822 0.180661
N -2.023606 1.654434 0.273971
N -3.346005 -0.467911 0.151156
N -2.704829 2.334485 2.356507
N -4.706446 -0.901380 2.111157
N -4.734960 -2.380399 0.293728
C -0.163396 2.454205 -1.225341
C 0.925870 1.386654 -0.934940
C -1.473792 1.659162 -1.092473
C 0.336646 0.098634 -1.566413
C 0.739361 -1.197953 -0.832294
C -2.910424 0.696423 0.763067
C -1.949048 2.645191 1.300937
C -3.319164 1.105037 2.040981
C -4.251469 0.264253 2.824061
C -4.278765 -1.223146 0.901866
H -0.092218 3.309242 -0.528404
H 1.070318 1.263557 0.154658
H -2.223816 2.001759 -1.825652
H 0.589309 0.053510 -2.640963
H 0.499347 -2.101346 -1.421465
H 0.231318 -1.251828 0.145036
H 0.879474 3.056914 -2.811030
H 2.940663 1.891156 -0.833748
H -1.354425 3.548687 1.199451
H -2.882199 -0.802619 -0.698077
H -4.611885 -2.572151 -0.697304
H -5.396874 -2.932988 0.834230
H 2.733843 0.734827 -2.408681
H 2.883067 -1.150685 1.305011
H 6.636575 0.955814 1.080772


