%chk=000257314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257314

0 1
S 2.096189 -1.865144 1.230286
S -2.544081 -1.209068 1.393467
O 1.330213 -2.858927 0.484164
O 3.402858 -2.257437 1.742168
O -2.775991 -0.609488 2.696488
O -3.392760 -2.281413 0.921268
N -0.928826 -1.789383 1.404899
C 1.162021 -1.302544 2.625593
C -0.225641 -1.947630 2.701693
C 2.311207 -0.448943 0.258095
C -2.470446 0.022691 0.185253
C 3.581162 0.134382 0.170131
C 1.246688 0.100487 -0.460966
C 2.707536 1.834455 -1.323727
C -2.739986 -0.291850 -1.151630
C -2.147922 1.336048 0.541137
C 3.781809 1.271377 -0.611097
C 1.436711 1.241678 -1.242578
C -2.327943 2.015274 -1.781133
C -2.665080 0.695924 -2.133008
C -2.071746 2.329902 -0.435464
C 2.930227 3.046893 -2.164815
C -2.261032 3.072067 -2.831837
H 1.712930 -1.512811 3.567752
H 1.052379 -0.199567 2.622910
H -0.127075 -3.026062 2.970441
H -0.807865 -1.463324 3.526301
H -0.657189 -2.545051 0.734318
H 4.424386 -0.309409 0.716105
H 0.252955 -0.359178 -0.418491
H -3.019836 -1.315343 -1.429609
H -1.962858 1.590048 1.591119
H 4.771837 1.718485 -0.675033
H 0.596525 1.664379 -1.790806
H -2.876312 0.445544 -3.171356
H -1.822766 3.350337 -0.150700
H 3.558565 2.808449 -3.037559
H 1.998159 3.480021 -2.550028
H 3.448456 3.840230 -1.606311
H -3.274153 3.404703 -3.111954
H -1.712536 3.966249 -2.507053
H -1.780169 2.712751 -3.752933


%chk=000257314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257314

0 1
S 2.342816 -1.922325 1.336334
S -2.652526 -1.275277 1.358596
O 1.417114 -2.916199 0.399088
O 3.705415 -2.493023 2.040201
O -2.933615 -0.649603 2.840310
O -3.434325 -2.605722 0.836086
N -0.792220 -1.482698 1.297896
C 1.163994 -1.217180 2.749488
C -0.210349 -1.860260 2.615822
C 2.843965 -0.412815 0.308447
C -2.903736 0.072400 0.069717
C 4.198236 -0.044805 0.334867
C 1.875369 0.245427 -0.465606
C 3.656926 1.761316 -1.256980
C -3.360367 -0.312119 -1.200660
C -2.661818 1.405249 0.435818
C 4.595215 1.053420 -0.457920
C 2.299019 1.345475 -1.246228
C -3.337438 2.070642 -1.843286
C -3.571393 0.705150 -2.157211
C -2.883660 2.403440 -0.538708
C 4.108445 2.927283 -2.117732
C -3.603567 3.154195 -2.872135
H 1.700715 -1.491981 3.671898
H 1.145311 -0.130869 2.576198
H -0.150570 -2.955476 2.755388
H -0.866166 -1.439555 3.406830
H -0.549570 -2.189826 0.572304
H 4.906187 -0.611331 0.949639
H 0.828693 -0.077917 -0.454797
H -3.561125 -1.365734 -1.420887
H -2.333336 1.654129 1.449775
H 5.646864 1.363104 -0.458404
H 1.563745 1.882480 -1.856196
H -3.927234 0.434029 -3.157800
H -2.707646 3.453737 -0.279859
H 4.724713 2.574978 -2.966602
H 3.251353 3.481894 -2.535457
H 4.727298 3.638109 -1.540813
H -4.685272 3.382091 -2.930216
H -3.082153 4.093227 -2.619781
H -3.282708 2.842741 -3.881925


