%chk=000186740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186740

0 1
S 1.084366 2.512479 -0.635050
O 0.925678 -2.498451 -0.095789
O -5.647579 -0.685569 -0.356684
O -5.449050 1.041939 0.929248
N 2.821572 0.445693 -0.699410
N 0.677809 -0.166668 -0.250066
N -4.984741 0.148563 0.239249
C 2.895527 -1.021177 -0.403275
C 3.710517 -1.328652 0.860843
C 5.054394 -0.590277 0.829759
C 4.069285 1.242918 -0.619077
C 4.851768 0.920596 0.662309
C 1.413954 -1.411869 -0.225368
C 1.547981 0.946695 -0.491779
C -0.755298 -0.068365 -0.121063
C -1.556692 -1.028900 -0.769448
C -1.329681 0.947127 0.664392
C -2.941072 -0.957651 -0.649187
C -2.716246 1.019157 0.774830
C -3.515754 0.069330 0.118151
H 3.327414 -1.545968 -1.295458
H 3.867227 -2.423566 0.942469
H 3.144764 -1.036647 1.769753
H 5.688489 -0.983418 0.010747
H 5.610958 -0.794234 1.766213
H 3.824832 2.331714 -0.673319
H 4.672486 1.000063 -1.524920
H 4.320811 1.333290 1.544288
H 5.830767 1.438245 0.634352
H -1.099842 -1.832196 -1.352510
H -0.707253 1.682465 1.182506
H -3.586116 -1.691168 -1.147573
H -3.188878 1.808201 1.372368


%chk=000186740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186740

0 1
S 1.098474 2.640144 -0.670517
O 0.909093 -2.471013 0.075864
O -5.719060 -0.816816 -0.434605
O -5.565171 1.028400 0.896530
N 2.812423 0.493572 -0.477065
N 0.656193 -0.109132 -0.231679
N -5.037082 0.087840 0.185994
C 2.859583 -0.965560 -0.280827
C 3.756699 -1.337258 0.927129
C 5.138607 -0.658830 0.759114
C 4.067774 1.249212 -0.577815
C 4.996309 0.877154 0.604828
C 1.383694 -1.329939 -0.122319
C 1.540842 1.013570 -0.451264
C -0.774042 -0.036477 -0.130567
C -1.559145 -1.007298 -0.803231
C -1.391250 0.967712 0.656933
C -2.960379 -0.971262 -0.699928
C -2.792877 1.012964 0.758496
C -3.560439 0.043296 0.077223
H 3.260229 -1.460358 -1.190879
H 3.843612 -2.436423 0.984474
H 3.274427 -0.989344 1.860278
H 5.650341 -1.076614 -0.132462
H 5.776010 -0.893599 1.631052
H 3.810774 2.321964 -0.583263
H 4.559852 1.007541 -1.542039
H 4.581453 1.306445 1.537052
H 5.985977 1.341402 0.439369
H -1.075248 -1.786217 -1.396232
H -0.777491 1.706862 1.174940
H -3.590609 -1.703694 -1.210096
H -3.297179 1.775456 1.357013


