%chk=000244419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244419

0 1
S 3.099046 2.561828 0.170672
O 2.887340 -2.509672 -0.003221
N 2.299041 0.193573 -0.664724
C -1.642524 1.432591 1.165979
C -0.097208 1.598751 1.164693
C 0.495278 1.834785 -0.233000
C -1.989796 0.149734 0.406111
C -2.122061 1.308800 2.628033
C -2.313687 2.675782 0.558248
C 1.943554 1.436583 -0.263390
C 3.707473 -0.293395 -0.656981
C 1.331124 -0.894009 -0.981318
C 3.833077 -1.468975 0.323886
C 1.521889 -2.053805 0.011106
C -1.709238 -1.098297 0.991875
C -2.545428 0.173372 -0.881158
C -1.981748 -2.286255 0.311365
C -2.816707 -1.016899 -1.564355
C -2.534942 -2.250266 -0.972856
H 0.365323 0.708021 1.632406
H 0.183129 2.448755 1.821379
H -0.096582 1.301220 -1.008330
H 0.404271 2.914673 -0.496576
H -1.963865 2.241949 3.180270
H -1.597661 0.518406 3.174633
H -3.193449 1.081299 2.672324
H -2.033620 2.836261 -0.487729
H -2.027874 3.582496 1.105261
H -3.406304 2.600952 0.602306
H 4.423810 0.520921 -0.382580
H 3.971662 -0.613112 -1.690778
H 1.524375 -1.245516 -2.021634
H 0.277514 -0.528781 -0.953139
H 4.801737 -1.991737 0.223310
H 3.679153 -1.153984 1.371068
H 1.241534 -1.767701 1.039994
H 0.963176 -2.956713 -0.297249
H -1.284787 -1.143778 1.994665
H -2.781772 1.121229 -1.364042
H -1.770671 -3.243856 0.785146
H -3.254627 -0.978899 -2.560994
H -2.751155 -3.175532 -1.502575


%chk=000244419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244419

0 1
S 3.010121 2.765472 -0.087272
O 3.477323 -2.452594 0.272778
N 2.481795 0.129459 -0.591778
C -1.681315 1.379727 1.106566
C -0.114827 1.361076 1.051918
C 0.482784 1.595845 -0.365802
C -2.244475 0.176191 0.310488
C -2.111225 1.251948 2.600472
C -2.204637 2.740184 0.578831
C 1.994805 1.400150 -0.379926
C 3.935421 -0.171715 -0.614796
C 1.663886 -1.097654 -0.768084
C 4.269042 -1.220634 0.461467
C 2.044207 -2.138172 0.310041
C -1.910766 -1.151412 0.703135
C -3.095996 0.329486 -0.814223
C -2.402400 -2.274329 0.003556
C -3.591792 -0.791951 -1.520680
C -3.247037 -2.100399 -1.118129
H 0.245395 0.393674 1.454458
H 0.278667 2.146956 1.725322
H -0.030472 0.948372 -1.102755
H 0.301438 2.639644 -0.664436
H -1.730792 2.112012 3.182555
H -1.718046 0.330018 3.065332
H -3.212529 1.232228 2.690102
H -1.961036 2.906845 -0.485226
H -1.745631 3.562960 1.156676
H -3.301376 2.817953 0.694026
H 4.482440 0.771341 -0.439950
H 4.194585 -0.568312 -1.615990
H 1.874867 -1.520590 -1.770568
H 0.589865 -0.876608 -0.701350
H 5.322404 -1.535567 0.389310
H 4.075514 -0.799203 1.470865
H 1.765276 -1.750992 1.315326
H 1.523637 -3.092368 0.126093
H -1.269020 -1.315526 1.577806
H -3.386052 1.330321 -1.147779
H -2.134580 -3.283738 0.337122
H -4.248824 -0.639972 -2.384795
H -3.632845 -2.969327 -1.662603


