%chk=000266551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266551

0 1
S 4.267831 0.791753 -0.151882
S 0.506842 -2.431270 1.744801
O 1.243502 0.064385 1.844558
N -0.656262 1.002703 0.795763
N -2.906112 0.498743 0.953616
N -0.387345 0.601342 -1.683739
N -2.490500 -0.040430 -2.765899
N -4.528287 -0.263176 -1.585283
C 2.472058 0.511287 -0.174578
C 2.156390 -0.563490 0.887466
C 1.698847 1.766539 0.245734
C 0.710061 1.278787 1.315578
C 1.448030 -1.786874 0.323909
C -1.078696 0.654271 -0.494532
C -1.817059 0.849959 1.638239
C 4.583390 1.483380 -1.815488
C -2.487550 0.368924 -0.382574
C 0.336070 -4.198714 1.300523
C 6.057998 1.820217 -1.858438
C -3.187317 0.014189 -1.572752
C -1.154231 0.254315 -2.752827
C -0.502297 -4.824894 2.395111
H 2.149510 0.185584 -1.192877
H 3.020986 -0.845324 1.533760
H 2.360932 2.544014 0.676148
H 1.199067 2.242331 -0.621617
H 0.607990 1.947451 2.204288
H 2.166159 -2.524797 -0.070513
H 0.751137 -1.533972 -0.498227
H -1.756756 1.014040 2.706246
H 4.311619 0.741947 -2.589167
H 3.954316 2.377728 -1.977198
H -0.149118 -4.295255 0.313103
H 1.332058 -4.670659 1.232334
H 6.339405 2.560343 -1.095705
H 6.692439 0.936065 -1.701187
H 6.335583 2.243701 -2.833885
H -0.644214 0.198748 -3.729983
H -0.027661 -4.736834 3.382666
H -1.496380 -4.361157 2.471380
H -0.659541 -5.895365 2.207134
H -4.990681 -0.535884 -2.437685
H -5.052611 -0.268553 -0.723421


%chk=000266551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266551

0 1
S 3.880572 0.258528 0.026438
S 0.821938 -3.220060 2.245966
O 0.271481 -0.037306 1.855179
N -1.096948 1.530812 0.626981
N -3.335988 1.965302 0.302537
N -0.535390 0.706103 -1.675086
N -2.494402 0.738548 -3.165149
N -4.629515 1.461723 -2.452234
C 2.003860 0.337473 0.211468
C 1.537993 -0.633755 1.323291
C 1.452653 1.708959 0.666070
C 0.142436 1.360443 1.413254
C 1.255383 -2.047185 0.821340
C -1.372545 1.193414 -0.709161
C -2.316621 1.972456 1.175420
C 4.039759 0.949361 -1.739101
C -2.755554 1.478641 -0.883731
C 1.684120 -4.786312 1.601939
C 5.504829 0.856835 -2.187354
C -3.311030 1.229410 -2.172666
C -1.180749 0.510212 -2.864429
C 1.486721 -5.923735 2.614437
H 1.545895 0.063258 -0.753636
H 2.266455 -0.663738 2.159222
H 2.156697 2.180028 1.373980
H 1.283053 2.393848 -0.179327
H -0.002032 1.981728 2.315896
H 2.171207 -2.435698 0.340246
H 0.427889 -2.032386 0.092751
H -2.391173 2.277824 2.217528
H 3.377450 0.351000 -2.388305
H 3.687252 1.994733 -1.732627
H 1.242751 -5.044210 0.623390
H 2.754915 -4.552586 1.464892
H 6.165943 1.439957 -1.521591
H 5.856289 -0.190139 -2.190666
H 5.613639 1.258364 -3.211856
H -0.569699 0.119968 -3.684100
H 1.916684 -5.661095 3.597534
H 0.414628 -6.147967 2.757334
H 1.984923 -6.844116 2.257222
H -4.980156 1.261176 -3.386495
H -5.246011 1.816283 -1.723903


