%chk=000147108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000147108

0 1
S 5.636328 1.355924 -0.787435
P 4.009753 0.447238 -0.579942
O 1.325940 -1.728004 -0.711875
O -1.532832 -2.899511 1.055493
O 0.193567 -1.694093 2.587272
O 4.037865 -0.593367 0.707734
O 2.608915 1.273999 -0.260723
O 3.474841 -0.432729 -1.857206
N -0.938548 -1.220814 -1.141274
N -2.289613 0.020724 -2.544228
N -1.150198 0.235514 0.911839
N -2.570908 2.193332 0.537784
N -3.636390 2.629462 -1.528096
C -0.218920 -3.009655 0.579752
C 0.842910 -2.394960 1.549250
C 0.007583 -2.288427 -0.789586
C 1.720944 -1.469461 0.676236
C 3.221212 -1.774767 0.704808
C -1.389851 -0.126032 -0.392238
C -1.525081 -1.064662 -2.454634
C -2.229157 0.636861 -1.282169
C -2.826602 1.828488 -0.776094
C -1.768385 1.393767 1.292735
C 2.728357 2.669298 0.097844
H -0.072636 -4.106487 0.440507
H 1.408847 -3.184128 2.091189
H 0.073260 -3.003543 -1.648221
H 1.497211 -0.390123 0.880880
H 3.514973 -2.439260 -0.135841
H 3.531983 -2.238371 1.667895
H -1.609268 -2.149011 1.719481
H -0.164106 -0.806097 2.261145
H -1.337659 -1.784100 -3.241002
H -1.600047 1.722359 2.334541
H -3.847502 2.387215 -2.485786
H -4.049982 3.462518 -1.136395
H 2.480110 -0.654476 -1.860413
H 3.258737 2.785315 1.051294
H 1.676228 2.971658 0.208215
H 3.205220 3.250507 -0.702238


%chk=000147108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147108

0 1
S 3.744985 -0.764347 -2.059338
P 3.686982 0.874964 -0.771551
O 0.972511 -0.002681 0.168895
O -0.799295 -3.161902 0.214031
O -0.497655 -1.724026 2.454311
O 3.732346 0.437737 0.932684
O 4.974154 1.995058 -0.837940
O 2.415599 1.999911 -0.898341
N -0.973102 -0.636264 -1.059349
N -2.645222 0.021079 -2.495072
N -2.177742 -0.263139 1.104123
N -4.438737 0.609398 0.777704
N -5.348931 1.005073 -1.363742
C 0.408335 -2.374948 0.241212
C 0.726552 -1.864538 1.698256
C 0.353402 -1.076207 -0.648434
C 1.500759 -0.551901 1.463315
C 3.019823 -0.783434 1.347710
C -2.058501 -0.272254 -0.257343
C -1.389916 -0.436928 -2.393601
C -3.074545 0.136495 -1.159679
C -4.302921 0.588826 -0.595174
C -3.395600 0.188997 1.538936
C 6.334838 1.489550 -1.135906
H 1.230270 -3.004721 -0.142113
H 1.340368 -2.601199 2.244044
H 0.966290 -1.191644 -1.560645
H 1.273283 0.206710 2.229120
H 3.249012 -1.605802 0.639431
H 3.436601 -1.021150 2.340857
H -1.248468 -3.001007 1.098028
H -1.144252 -1.022131 1.996047
H -0.727615 -0.645255 -3.231428
H -3.544080 0.210364 2.621997
H -5.267914 0.997638 -2.379002
H -6.203266 1.321624 -0.908556
H 1.578555 1.553353 -0.550078
H 6.743686 0.948463 -0.264797
H 6.921354 2.398232 -1.332550
H 6.325158 0.834107 -2.025565


