%chk=000190293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190293

0 1
S 0.012845 0.102559 -1.761424
O 1.827274 -0.863686 0.801454
O -1.845464 0.746636 0.870510
N 2.117615 1.068909 -0.417253
N -2.113326 -1.020103 -0.582524
N 2.936258 1.968115 -1.046117
N -2.920361 -1.833746 -1.331438
N 4.178318 1.862204 -1.045090
N -4.162375 -1.727429 -1.338220
C 0.666462 1.299142 -0.550690
C -0.659907 -1.233680 -0.718933
C 4.084027 -0.202631 0.275529
C -4.092393 0.158178 0.228966
C 2.612454 -0.097804 0.281621
C -2.621044 0.051776 0.246845
C 4.851886 0.779244 -0.395226
C -4.847868 -0.732423 -0.570846
C 4.736085 -1.270309 0.921197
C -4.756301 1.138587 0.990564
C 6.256629 0.697669 -0.423171
C -6.252026 -0.646507 -0.612103
C 6.123611 -1.346158 0.891764
C -6.143209 1.219005 0.947381
C 6.879740 -0.365176 0.220969
C -6.886957 0.329253 0.147879
H 0.160373 1.187470 0.444803
H 0.456680 2.326152 -0.932055
H -0.442709 -2.205958 -1.220617
H -0.170753 -1.246309 0.291099
H 4.136824 -2.025672 1.438029
H -4.166585 1.823635 1.606799
H 6.830120 1.464868 -0.947163
H -6.815849 -1.342454 -1.236458
H 6.635946 -2.169849 1.390004
H -6.664678 1.975387 1.534878
H 7.968779 -0.444384 0.209130
H -7.975723 0.410487 0.127606


%chk=000190293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190293

0 1
S 0.013043 0.144919 -2.097077
O 1.827608 -0.893109 0.709859
O -1.852478 0.810941 0.778416
N 2.240664 1.017391 -0.587591
N -2.226996 -0.930200 -0.748016
N 3.096635 1.955012 -1.257685
N -3.062444 -1.788241 -1.539436
N 4.391038 1.818425 -1.149047
N -4.359647 -1.678283 -1.434697
C 0.815742 1.280872 -0.801077
C -0.796620 -1.153043 -0.968686
C 4.128259 -0.196332 0.302183
C -4.140277 0.149765 0.252669
C 2.664036 -0.094745 0.190036
C -2.673450 0.075957 0.151805
C 4.943189 0.760509 -0.377677
C -4.934240 -0.726442 -0.550032
C 4.735420 -1.228688 1.059717
C -4.770447 1.077362 1.119088
C 6.359099 0.678106 -0.298036
C -6.351999 -0.668404 -0.483088
C 6.137495 -1.302541 1.136377
C -6.174307 1.127399 1.182063
C 6.948849 -0.349366 0.456323
C -6.964563 0.254744 0.379911
H 0.238175 1.154431 0.127051
H 0.727927 2.303552 -1.191665
H -0.692178 -2.117945 -1.482638
H -0.234082 -1.138838 -0.023020
H 4.090600 -1.950501 1.570474
H -4.141603 1.739103 1.722701
H 6.954042 1.425072 -0.831774
H -6.930316 -1.351747 -1.111888
H 6.610838 -2.098085 1.721218
H -6.665313 1.842085 1.850740
H 8.039523 -0.419683 0.522733
H -8.056822 0.305547 0.437465


