%chk=000258323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258323

0 1
S 2.620843 0.422179 -1.141638
S -2.623093 0.409800 1.140785
O 2.297427 1.827306 -0.982296
O 2.760003 -0.098576 -2.491189
O -2.308286 1.816720 0.980371
O -2.758295 -0.111094 2.490720
N 1.432465 -0.587145 -0.402806
N -1.429428 -0.592969 0.401704
C 1.031050 -0.344043 1.018176
C -1.028994 -0.347574 -1.019129
C 0.332793 -1.039132 -1.295538
C -0.328064 -1.040885 1.294363
C 0.971304 1.129229 1.417232
C -0.974744 1.126075 -1.417498
C 4.037699 0.070522 -0.208821
C -4.038418 0.049108 0.209076
C 4.576133 -1.219291 -0.209238
C -4.570939 -1.243153 0.213263
C 4.655083 1.091018 0.521674
C -4.660457 1.064623 -0.524393
C 5.729093 -1.493800 0.533638
C -5.722599 -1.525121 -0.528835
C 5.807520 0.818560 1.264058
C -5.811595 0.784707 -1.266022
C 6.342693 -0.474638 1.269783
C -6.340820 -0.510947 -1.267994
H 1.815838 -0.857389 1.642322
H -1.811802 -0.863575 -1.643575
H 0.223004 -2.141013 -1.153643
H 0.618258 -0.903646 -2.366743
H -0.213998 -2.142301 1.152217
H -0.614052 -0.906712 2.365608
H 0.346595 1.728907 0.721567
H 0.532384 1.264094 2.413069
H 1.952202 1.615930 1.431588
H -0.538830 1.262767 -2.414392
H -1.957083 1.610008 -1.428886
H -0.350068 1.727307 -0.723149
H 4.102500 -2.016115 -0.790820
H -4.093698 -2.036065 0.797240
H 4.239265 2.106318 0.507652
H -4.249391 2.081881 -0.513227
H 6.149968 -2.498009 0.534427
H -6.138868 -2.531245 -0.526687
H 6.289342 1.612307 1.833124
H -6.297037 1.574570 -1.837409
H 7.242737 -0.687734 1.848023
H -7.239841 -0.729863 -1.845651


%chk=000258323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258323

0 1
S 2.658606 0.502014 -1.190849
S -2.661213 0.487216 1.191078
O 2.432834 2.118845 -1.069061
O 2.788912 -0.147151 -2.682167
O -2.443853 2.105179 1.068682
O -2.788583 -0.162141 2.682556
N 1.397473 -0.594097 -0.360605
N -1.393919 -0.602707 0.361625
C 1.036950 -0.344883 1.080832
C -1.034848 -0.352573 -1.080062
C 0.336559 -1.053942 -1.285503
C -0.329941 -1.054910 1.286888
C 0.981480 1.121895 1.572186
C -0.988734 1.114032 -1.572922
C 4.181274 0.078697 -0.156035
C -4.181495 0.055844 0.156098
C 4.664759 -1.239579 -0.192257
C -4.659500 -1.264378 0.193939
C 4.794239 1.122291 0.554086
C -4.798431 1.095873 -0.555824
C 5.831300 -1.527386 0.553171
C -5.824403 -1.558077 -0.551766
C 5.961266 0.813922 1.292213
C -5.963707 0.781622 -1.294203
C 6.473602 -0.504526 1.292652
C -6.470515 -0.538962 -1.293095
H 1.789393 -0.881506 1.695574
H -1.783759 -0.894625 -1.694340
H 0.219404 -2.146474 -1.153007
H 0.689968 -0.893696 -2.321321
H -0.205848 -2.146776 1.155258
H -0.684316 -0.896148 2.322613
H 0.172794 1.702356 1.098421
H 0.793347 1.108958 2.661788
H 1.929013 1.656097 1.398177
H -0.798426 1.101108 -2.662151
H -1.940357 1.641718 -1.401378
H -0.185123 1.700746 -1.098274
H 4.153588 -2.007628 -0.780374
H -4.145546 -2.029432 0.783534
H 4.379312 2.134937 0.511927
H -4.387836 2.110325 -0.514656
H 6.238160 -2.543901 0.551720
H -6.227054 -2.576264 -0.549092
H 6.467329 1.602392 1.858638
H -6.472742 1.567197 -1.861984
H 7.378507 -0.735288 1.865147
H -7.374121 -0.774310 -1.865775


