%chk=000293804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293804

0 1
S 1.001671 -2.103710 1.069733
O 0.895373 -2.879869 2.284470
O 2.183949 -2.188495 0.231630
O 0.345817 2.731503 1.257522
N 0.853900 -0.461772 1.590853
N -0.567876 1.415214 -0.375125
N -4.926168 0.253987 -0.313637
C 1.473398 0.605580 0.779796
C 2.742330 1.208898 1.415430
C 0.374807 1.691124 0.624800
C 3.850146 1.358039 0.408120
C -0.398529 -2.274652 0.087185
C 4.408602 0.218037 -0.193294
C 4.336372 2.629866 0.075518
C -1.740024 2.306289 -0.553525
C -1.663062 -2.370801 0.683129
C -0.283354 -2.297306 -1.307749
C -2.697364 -2.453173 -1.511921
C -2.805745 -2.454738 -0.108458
C -1.423489 -2.379202 -2.105302
C -2.985464 1.678101 0.014655
C 5.449857 0.354900 -1.112604
C 5.380196 2.759561 -0.846206
C 5.939493 1.624771 -1.439953
C -3.927088 -2.528691 -2.347202
C -3.343365 1.871538 1.356495
C -3.806598 0.860137 -0.785664
C -4.497576 1.260079 1.850741
C -5.262874 0.458963 0.986737
H 1.739028 0.206667 -0.242005
H 3.102483 0.573327 2.252422
H 2.498916 2.187948 1.891128
H 0.871685 -0.265133 2.600074
H -0.690118 0.462493 -0.714669
H -1.530398 3.292592 -0.063612
H -1.854173 2.518748 -1.641978
H 4.022368 -0.778466 0.051243
H 3.902226 3.518323 0.531077
H -1.757809 -2.380446 1.774236
H 0.708044 -2.253245 -1.776030
H -3.790432 -2.513809 0.356066
H -1.326508 -2.396872 -3.189626
H 5.882007 -0.531320 -1.574977
H 5.756466 3.748727 -1.100545
H 6.752768 1.727232 -2.154590
H -4.399627 -3.520531 -2.270590
H -3.744394 -2.341508 -3.412700
H -4.687315 -1.796816 -2.014595
H -2.720316 2.491343 2.006176
H -3.570154 0.675633 -1.839949
H -4.799810 1.399543 2.886593
H -6.176071 -0.039508 1.331476


%chk=000293804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293804

0 1
S 0.844648 -2.391866 1.404773
O 0.588504 -3.148719 2.821281
O 2.133313 -2.716275 0.449567
O 0.789406 2.619400 1.226242
N 0.806794 -0.569052 1.831728
N -0.243526 1.271372 -0.373533
N -4.864984 0.780079 -0.776841
C 1.607180 0.297792 0.920791
C 2.984231 0.717868 1.496155
C 0.695698 1.516613 0.607793
C 3.893409 1.320027 0.432345
C -0.681923 -2.490778 0.307590
C 4.682343 0.470472 -0.387416
C 3.947089 2.721126 0.219148
C -1.310305 2.232537 -0.713585
C -1.946852 -2.436789 0.916997
C -0.494661 -2.598664 -1.078874
C -2.951459 -2.544362 -1.336970
C -3.079195 -2.464277 0.078361
C -1.649606 -2.622786 -1.897359
C -2.674866 1.758020 -0.232369
C 5.512283 1.010090 -1.395491
C 4.778052 3.262003 -0.788278
C 5.563539 2.409278 -1.598351
C -4.188514 -2.533257 -2.212840
C -3.008258 1.750469 1.146241
C -3.641657 1.267540 -1.144114
C -4.273556 1.271060 1.545314
C -5.165570 0.793245 0.555513
H 1.789372 -0.275012 -0.011166
H 3.453539 -0.190864 1.917825
H 2.809294 1.441690 2.313604
H 1.081391 -0.510610 2.830242
H -0.322028 0.321886 -0.747685
H -1.027839 3.185087 -0.231492
H -1.326083 2.389443 -1.808276
H 4.649611 -0.614898 -0.227033
H 3.325307 3.378400 0.837667
H -2.041510 -2.374824 2.005503
H 0.514667 -2.684175 -1.495615
H -4.078643 -2.410855 0.524443
H -1.533240 -2.707795 -2.983655
H 6.121811 0.343021 -2.015817
H 4.813849 4.346945 -0.939748
H 6.210830 2.829857 -2.376370
H -4.866921 -3.367729 -1.955238
H -3.933552 -2.622301 -3.282308
H -4.756331 -1.594017 -2.066845
H -2.284523 2.114354 1.884464
H -3.430763 1.257913 -2.221874
H -4.568294 1.263239 2.599412
H -6.155300 0.408182 0.826941


