%chk=000239946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239946

0 1
S 4.054933 1.990932 0.346452
O -2.211458 -1.274403 -0.692911
O -6.126988 -0.974090 0.571206
O -5.011635 -2.426567 -1.244409
O -0.877155 -2.365281 1.118310
O -4.250509 2.627874 -1.025350
O 4.454320 1.778072 1.711187
O 4.412167 3.227742 -0.322544
N -4.329870 1.385308 0.888465
N -1.701898 0.948563 -0.462386
N 4.939022 0.855574 -0.673160
N 5.768968 -1.278769 -1.319655
N 3.982404 -1.057522 0.352952
C -3.975916 0.156179 0.152496
C -4.706408 -1.059901 0.761340
C -4.342824 -2.371821 0.017488
C -2.445550 -0.129241 0.179600
C -2.844560 -2.504189 -0.324581
C -2.036600 -3.147734 0.827295
C -0.317489 1.113826 -0.281711
C -4.343934 2.618015 0.187450
C 0.359980 2.017000 -1.144109
C 0.384378 0.482015 0.768797
C -4.537996 3.829270 1.044853
C 1.706335 2.273829 -0.939794
C 1.734492 0.757992 0.955194
C 2.408595 1.650128 0.106813
C 4.901347 -0.522378 -0.538789
C 5.705748 -2.621042 -1.170257
C 3.963721 -2.408833 0.469020
C 4.812932 -3.238403 -0.276169
H -4.302399 0.269473 -0.928335
H -4.531259 -1.151596 1.856354
H -4.698876 -3.247584 0.613006
H -2.053663 -0.370107 1.199374
H -2.742855 -3.078267 -1.284617
H -4.171382 1.371821 1.892873
H -2.572537 -3.174553 1.793191
H -1.715549 -4.173593 0.567321
H -2.116459 1.306371 -1.333810
H -6.423574 -0.036074 0.530188
H -5.938666 -2.073052 -1.145233
H -0.442955 -2.077314 0.269586
H -0.172464 2.506941 -1.956700
H -0.118119 -0.222438 1.434777
H -3.620822 4.092733 1.592857
H -5.348961 3.722493 1.777358
H -4.786728 4.702087 0.414921
H 2.229453 2.978403 -1.599778
H 2.278346 0.270958 1.777690
H 5.630619 1.221608 -1.352775
H 6.396886 -3.208514 -1.789536
H 3.238462 -2.818423 1.184532
H 4.786152 -4.316116 -0.166233


%chk=000239946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239946

0 1
S 4.076930 1.886130 0.501213
O -2.446954 -1.502416 -0.645881
O -6.365927 -0.640664 0.667405
O -5.357356 -2.300274 -1.205051
O -1.095010 -3.261983 0.964148
O -3.983274 2.691441 -1.216728
O 4.455000 1.457684 2.015073
O 4.381920 3.386613 -0.050474
N -4.367404 1.481918 0.730928
N -1.786696 0.783584 -0.519814
N 5.066380 0.891403 -0.722263
N 6.396348 -0.929135 -1.327826
N 4.458526 -1.220708 0.151356
C -4.090726 0.181074 0.091486
C -4.925834 -0.916681 0.780343
C -4.720813 -2.295922 0.107845
C -2.589018 -0.210495 0.113196
C -3.235945 -2.637909 -0.092612
C -2.538641 -3.167436 1.183650
C -0.418958 0.971324 -0.296087
C -4.283272 2.678847 0.016767
C 0.235107 2.053875 -0.959541
C 0.333755 0.136632 0.584955
C -4.575901 3.946429 0.803404
C 1.597769 2.311679 -0.740629
C 1.696969 0.393544 0.816985
C 2.294636 1.475200 0.150810
C 5.315092 -0.467203 -0.612996
C 6.611527 -2.272633 -1.273888
C 4.724871 -2.555788 0.194297
C 5.798778 -3.144820 -0.511902
H -4.395270 0.260074 -0.968956
H -4.641003 -0.979298 1.854908
H -5.186823 -3.065148 0.763216
H -2.246609 -0.376672 1.158255
H -3.168846 -3.393149 -0.894438
H -4.405555 1.525856 1.753331
H -2.742472 -2.517071 2.062216
H -2.906183 -4.182345 1.418680
H -2.255934 1.369711 -1.220011
H -6.509460 0.338817 0.732864
H -6.255727 -1.890171 -1.081048
H -0.880265 -2.658468 0.199530
H -0.337341 2.695388 -1.638913
H -0.125771 -0.723356 1.081579
H -3.675048 4.584361 0.812699
H -4.891471 3.758249 1.843765
H -5.368024 4.514668 0.286862
H 2.106189 3.151884 -1.223705
H 2.294025 -0.241518 1.476608
H 5.753695 1.473616 -1.216682
H 7.465441 -2.643210 -1.851759
H 4.049448 -3.159460 0.810574
H 5.992324 -4.218669 -0.467641


