%chk=000275032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275032

0 1
S 1.253562 -2.594582 0.658712
O -0.402794 0.666450 -0.564237
O -0.519745 -0.599509 1.305323
N -3.934784 1.430256 0.298389
C 2.535342 -0.182379 0.072328
C 2.615220 0.131215 1.579217
C 2.567454 1.125144 -0.747752
C 1.279161 -1.015158 -0.295136
C 3.877319 0.945134 1.896301
C 3.822248 1.945722 -0.426820
C 3.929447 2.240563 1.075400
C 1.208760 -1.413727 -1.745633
C 0.031714 -0.339494 0.262726
C -0.017311 -1.483480 -2.425370
C 2.385139 -1.779541 -2.425752
C -1.556244 1.457649 -0.130000
C -0.065559 -1.910039 -3.755902
C 2.332698 -2.204236 -3.754096
C -2.841655 0.650527 -0.360865
C 1.106524 -2.272875 -4.423892
C -5.019086 1.786980 -0.676252
C -4.482046 0.721147 1.503178
C -5.847352 2.952020 -0.131925
C -3.423501 0.618093 2.599615
H 3.436920 -0.789646 -0.200506
H 2.618837 -0.803474 2.174249
H 1.720028 0.692635 1.910325
H 1.657164 1.723946 -0.539546
H 2.529795 0.901052 -1.830757
H 3.903549 1.181678 2.976854
H 4.779303 0.335812 1.696050
H 4.725122 1.404067 -0.767954
H 3.802072 2.893840 -0.996644
H 3.105261 2.912064 1.384315
H 4.866511 2.786955 1.288560
H 1.939815 -3.369976 -0.209694
H -0.942871 -1.194629 -1.925537
H 3.350351 -1.724096 -1.920031
H -1.473181 2.341546 -0.784445
H -1.422201 1.742184 0.928463
H -1.023661 -1.958520 -4.271803
H 3.250634 -2.482007 -4.270305
H -3.008507 0.502406 -1.446908
H -2.720593 -0.369568 0.070498
H 1.066823 -2.605444 -5.459293
H -5.681264 0.927476 -0.917542
H -4.539319 2.100978 -1.630493
H -4.876726 -0.289389 1.259274
H -5.342617 1.319172 1.880787
H -6.523072 3.345392 -0.897839
H -5.196593 3.773210 0.199511
H -6.452808 2.657827 0.732919
H -3.839186 0.164160 3.504603
H -3.031096 1.606457 2.868054
H -2.559600 0.005613 2.293579


%chk=000275032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275032

0 1
S 1.542079 -2.740355 0.694036
O -0.391070 0.615996 -0.451142
O -0.427622 -0.751441 1.428971
N -4.048363 1.346326 0.285507
C 2.596012 -0.131008 0.065254
C 2.720870 0.184614 1.579187
C 2.642948 1.201107 -0.737588
C 1.360802 -1.048975 -0.274966
C 4.044343 0.926552 1.876607
C 3.969384 1.950715 -0.459894
C 4.163443 2.229171 1.049623
C 1.211338 -1.415727 -1.756644
C 0.087813 -0.427713 0.334366
C -0.049745 -1.812138 -2.274722
C 2.336428 -1.476570 -2.619855
C -1.592326 1.343752 0.081700
C -0.187273 -2.238265 -3.611108
C 2.203014 -1.906488 -3.958889
C -2.893002 0.579064 -0.236342
C 0.940115 -2.286760 -4.463927
C -4.968775 1.864543 -0.759436
C -4.729441 0.698932 1.436191
C -5.744565 3.120886 -0.316780
C -3.835637 0.592030 2.686971
H 3.493458 -0.725591 -0.211303
H 2.660748 -0.750081 2.165174
H 1.870464 0.821686 1.897408
H 1.788467 1.837121 -0.438123
H 2.529016 1.016599 -1.820371
H 4.111550 1.152047 2.958460
H 4.899113 0.260146 1.636259
H 4.821323 1.342933 -0.831910
H 3.985020 2.900838 -1.028596
H 3.386824 2.945805 1.388595
H 5.144635 2.710818 1.228200
H 2.454869 -3.239164 -0.225334
H -0.930009 -1.802862 -1.622672
H 3.329311 -1.193819 -2.255037
H -1.565021 2.316591 -0.432157
H -1.481904 1.476331 1.170390
H -1.171346 -2.540582 -3.986739
H 3.086792 -1.943500 -4.605830
H -2.970279 0.434591 -1.332297
H -2.841053 -0.427713 0.223735
H 0.835638 -2.620481 -5.502205
H -5.692519 1.079625 -1.098294
H -4.354050 2.128116 -1.640501
H -5.103180 -0.320598 1.159913
H -5.618254 1.305786 1.686688
H -6.356784 3.506709 -1.153131
H -5.039198 3.908597 0.000995
H -6.427560 2.913193 0.526224
H -4.397352 0.119361 3.514031
H -3.512406 1.596638 3.013811
H -2.933682 -0.019785 2.503797


