%chk=000235597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235597

0 1
S -4.982719 -1.718598 0.361859
O -3.404704 3.071842 -0.276814
O -5.228028 -2.189489 -1.238385
O -4.504095 -2.920516 0.997271
O -6.236523 -1.130194 0.785997
O 3.514678 1.943871 -0.214450
N 2.361155 -0.047823 -0.019492
N -5.391968 1.303602 -0.099614
C -1.380903 -0.046535 0.068978
C -1.667299 1.343722 -0.113984
C -3.775539 -0.532241 0.189302
C -2.443016 -0.952709 0.218213
C -3.006997 1.753152 -0.134121
C -4.094833 0.837764 0.005912
C -0.008979 -0.479942 0.098976
C 1.012472 0.428746 -0.048143
C -0.565844 2.265571 -0.263339
C 0.722959 1.835263 -0.233365
C 3.534554 0.734408 -0.112948
C 4.786943 -0.087803 -0.059119
C 5.686190 0.121192 0.994415
C 5.073811 -1.016178 -1.068204
C 6.872384 -0.616763 1.044298
C 6.264022 -1.746454 -1.014093
C 7.160357 -1.549485 0.042415
H -2.215657 -2.015862 0.370140
H 0.181887 -1.541977 0.241654
H -0.798727 3.322999 -0.402659
H 1.561224 2.537217 -0.346270
H 2.467513 -1.059431 0.103907
H -6.182370 0.737560 0.224801
H -5.541553 2.304561 -0.114421
H -2.620271 3.667736 -0.395765
H -5.617787 -3.064839 -1.371695
H 5.464100 0.861439 1.764872
H 4.381332 -1.160065 -1.897705
H 7.574971 -0.459743 1.862321
H 6.495316 -2.467022 -1.797876
H 8.087546 -2.121477 0.082231


%chk=000235597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235597

0 1
S -5.059766 -1.854017 0.100396
O -3.484771 3.113589 -0.100949
O -5.225510 -2.035494 -1.743753
O -4.476484 -3.236701 0.698002
O -6.476317 -1.273959 0.658459
O 3.617752 1.985989 0.071713
N 2.372407 -0.008140 0.060032
N -5.437530 1.306289 0.011769
C -1.376051 -0.045884 0.059539
C -1.695480 1.369302 -0.026474
C -3.755193 -0.535184 0.082723
C -2.437855 -0.991789 0.103901
C -3.060482 1.771130 -0.037930
C -4.139503 0.845667 0.014254
C -0.007932 -0.457775 0.087064
C 1.036424 0.475083 0.034304
C -0.599802 2.298700 -0.078283
C 0.725746 1.880343 -0.048167
C 3.568869 0.716399 0.043768
C 4.821670 -0.121670 0.015128
C 6.016768 0.485410 0.480025
C 4.868474 -1.453105 -0.479275
C 7.229975 -0.232264 0.478846
C 6.085382 -2.169272 -0.484510
C 7.267383 -1.564098 0.001576
H -2.233064 -2.065216 0.168216
H 0.209052 -1.532153 0.149866
H -0.782200 3.379807 -0.144903
H 1.549986 2.594655 -0.080119
H 2.464573 -1.023093 0.140506
H -6.214329 0.660879 0.178957
H -5.584863 2.311656 -0.037663
H -2.724125 3.742253 -0.118207
H -5.942486 -2.715020 -1.911768
H 5.967527 1.521588 0.829760
H 3.977814 -1.929640 -0.908445
H 8.145192 0.243891 0.846687
H 6.113927 -3.191127 -0.877881
H 8.210423 -2.121529 -0.002062


