%chk=000238976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238976

0 1
S 0.136030 1.523481 -0.224520
O 0.455726 1.703767 -1.621358
O 0.384887 2.549062 0.758427
O 1.222610 -2.767234 -1.260765
O 2.193050 -2.592976 0.754264
O 6.197850 0.231739 1.544596
O 6.221690 -0.456408 -0.586425
O -6.128688 -0.077359 1.322425
O -6.004037 -0.994312 -0.635426
N 1.028477 0.143644 0.308581
N -5.539896 -0.358510 0.294018
C 1.875000 -0.571170 -0.663359
C 3.340246 -0.105419 -0.728711
C 4.084861 -0.180357 0.604021
C -1.511566 0.982368 -0.078414
C 1.813228 -2.049342 -0.253431
C -2.232179 1.278855 1.081618
C -2.097427 0.262698 -1.122922
C 5.568519 -0.169803 0.387807
C -3.554755 0.843227 1.210725
C -3.419274 -0.180081 -1.007977
C -4.129558 0.114792 0.162015
H 1.429659 -0.465098 -1.701802
H 3.370055 0.935167 -1.122392
H 3.881190 -0.708400 -1.496744
H 1.439243 0.167393 1.254087
H 3.818892 -1.114383 1.166039
H 3.795145 0.652640 1.282117
H -1.771369 1.861537 1.890436
H -1.533986 0.049253 -2.039817
H -4.137571 1.064916 2.112663
H -3.897513 -0.747197 -1.815422
H 1.158734 -3.742300 -1.062124
H 7.189727 0.236310 1.462571


%chk=000238976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238976

0 1
S 0.296409 0.944122 -0.483328
O 0.518248 1.215574 -2.070633
O 0.909481 1.946729 0.650986
O 2.900095 -3.379044 -1.553309
O 2.173887 -3.051555 0.631740
O 5.443986 0.880115 2.028222
O 6.013958 0.461580 -0.182487
O -6.137784 0.919848 1.773504
O -6.457155 0.016449 -0.297265
N 0.834046 -0.795748 -0.221632
N -5.708965 0.509189 0.629496
C 2.041712 -1.198540 -0.999662
C 3.315371 -0.307068 -0.834812
C 3.725496 -0.048947 0.629607
C -1.555960 0.784237 -0.134151
C 2.344849 -2.621090 -0.531554
C -2.025440 1.240235 1.107882
C -2.375351 0.257936 -1.146394
C 5.157661 0.442281 0.728682
C -3.410300 1.148811 1.361715
C -3.758737 0.168263 -0.891100
C -4.245246 0.609284 0.359849
H 1.771985 -1.224726 -2.067120
H 3.116412 0.652268 -1.346386
H 4.147588 -0.784489 -1.383441
H 0.929880 -0.974203 0.796376
H 3.653470 -0.966710 1.247881
H 3.071291 0.703794 1.107908
H -1.332665 1.672511 1.836857
H -1.949691 -0.056216 -2.103912
H -3.845886 1.484847 2.305886
H -4.455949 -0.231424 -1.631484
H 3.148995 -4.282084 -1.214099
H 6.391310 1.184272 2.070978


