%chk=000244532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244532

0 1
S -1.801541 -0.613458 -0.087991
O 5.342659 -0.947776 -0.794295
O 5.954705 0.428958 2.070968
O 5.223101 2.453496 -0.675000
O 7.750212 -0.950434 -2.542764
N 3.188965 -0.732463 0.052562
N 1.271833 -1.089075 -1.170351
N 2.123532 0.029963 2.194339
N -0.317680 0.048746 2.046384
C 5.059156 0.663076 0.989047
C 5.892327 1.326639 -0.138838
C 4.628518 -0.719429 0.419750
C 6.106661 0.232053 -1.206656
C 7.563705 -0.237818 -1.320017
C 2.117759 -0.415739 0.896012
C 2.606610 -1.144616 -1.193870
C 0.920171 -0.640976 0.113503
C -0.307225 -0.382381 0.763747
C -4.367147 -0.469775 0.438379
C 0.882148 0.236058 2.702379
C -3.083368 -0.182530 1.140584
C -5.033533 0.587074 -0.280895
C -4.924012 -1.740307 0.474885
C -6.256638 0.311093 -0.945722
C -6.156982 -2.000305 -0.203031
C -6.803565 -1.009598 -0.891511
C -4.509964 1.918818 -0.353278
C -4.274437 -2.873728 1.200726
C -6.927012 1.352731 -1.662425
C -5.170239 2.901581 -1.047209
C -6.397248 2.617197 -1.712662
H 4.211801 1.305816 1.314910
H 4.865916 -1.580953 1.090962
H 6.837607 1.764404 0.264245
H 5.694270 0.510559 -2.201790
H 8.264962 0.615327 -1.417295
H 7.852094 -0.873319 -0.461835
H 5.457986 0.435272 2.924822
H 4.355159 2.212580 -1.071571
H 3.233483 -1.457184 -2.022639
H 7.238298 -1.790794 -2.522835
H -2.950923 -0.775244 2.069173
H -2.978895 0.877574 1.452076
H 0.814387 0.591153 3.744182
H -6.571116 -3.007233 -0.162042
H -7.741756 -1.209208 -1.408694
H -3.569140 2.142531 0.152104
H -4.005290 -2.601396 2.231651
H -4.915471 -3.762452 1.262965
H -3.345262 -3.183838 0.695170
H -7.863869 1.118903 -2.166161
H -4.766913 3.911845 -1.101596
H -6.898700 3.415684 -2.256152


%chk=000244532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244532

0 1
S -1.763284 -0.740220 -0.440631
O 5.546246 -0.946983 -0.826746
O 6.156868 0.626791 1.853437
O 4.696389 2.174849 -1.163973
O 8.279350 -1.207314 -1.546010
N 3.279034 -0.686710 -0.129816
N 1.422377 -1.045118 -1.438416
N 2.166100 -0.124439 2.014439
N -0.277971 -0.177016 1.816388
C 5.099400 0.748347 0.851121
C 5.707208 1.440730 -0.398311
C 4.697201 -0.660421 0.319152
C 6.352309 0.286305 -1.190657
C 7.818810 -0.008897 -0.842052
C 2.172559 -0.469808 0.695077
C 2.767613 -1.044947 -1.393442
C 1.028347 -0.689721 -0.135547
C -0.235706 -0.517699 0.492409
C -4.446634 -0.540139 0.395607
C 0.895632 -0.001600 2.500637
C -3.053910 -0.398416 0.953272
C -5.093056 0.588835 -0.241688
C -5.124324 -1.774781 0.510723
C -6.455400 0.451958 -0.719093
C -6.467964 -1.886119 0.022995
C -7.121325 -0.805742 -0.566170
C -4.437626 1.852335 -0.436868
C -4.470784 -2.994865 1.139938
C -7.108016 1.568164 -1.338988
C -5.095678 2.922321 -1.049092
C -6.445559 2.785472 -1.500744
H 4.231032 1.308813 1.236552
H 4.842354 -1.443613 1.084416
H 6.437667 2.203937 -0.092659
H 6.237152 0.415564 -2.280840
H 8.463447 0.810430 -1.203707
H 7.931206 -0.108109 0.255616
H 5.750137 0.440470 2.736572
H 4.006131 1.549875 -1.507226
H 3.428054 -1.307072 -2.215515
H 7.655292 -1.943357 -1.314164
H -2.829503 -1.124114 1.746114
H -2.825841 0.605204 1.338106
H 0.799968 0.267779 3.556155
H -6.983310 -2.848476 0.122572
H -8.151116 -0.910302 -0.928204
H -3.397345 1.980739 -0.122084
H -4.319671 -2.864340 2.229137
H -5.100232 -3.889746 1.000516
H -3.481166 -3.205661 0.694196
H -8.140325 1.445838 -1.688365
H -4.572534 3.874479 -1.191055
H -6.949502 3.633612 -1.976684


