%chk=000214298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214298

0 1
S 3.937389 0.327094 -0.392747
O 0.901213 3.777308 -1.131812
N 1.480766 0.929135 0.364662
N 1.494949 -3.480911 1.280153
C 0.019333 0.659121 0.615956
C -0.812619 1.294857 -0.519124
C 1.937492 2.346933 0.417447
C -0.378843 1.178595 1.996946
C -2.264255 0.926893 -0.401552
C 2.366503 -0.037576 0.025590
C 2.095223 2.973726 -0.973399
C -2.698779 -0.356387 -0.769978
C -3.194954 1.863205 0.073759
C 1.980243 -1.462129 0.025628
C -4.049493 -0.696326 -0.661311
C -4.545112 1.517914 0.178546
C -4.975328 0.238649 -0.186945
C 1.877554 -2.171311 -1.180805
C 1.795964 -2.160568 1.239348
C 1.568554 -3.532831 -1.143516
C 1.382760 -4.152240 0.103274
H -0.142256 -0.453873 0.593535
H -0.416667 0.972877 -1.504940
H -0.676799 2.403457 -0.527498
H 2.905025 2.403869 0.976264
H 1.195008 2.950204 0.998642
H -1.425101 0.917150 2.214900
H -0.305514 2.271315 2.073283
H 0.240150 0.747332 2.792359
H 2.138871 2.233942 -1.791994
H 2.980438 3.632531 -1.022574
H -1.985794 -1.087882 -1.143883
H -2.866832 2.861301 0.358256
H -4.382160 -1.692896 -0.948000
H -5.264028 2.248944 0.545622
H 2.048444 -1.665571 -2.133415
H -6.026691 -0.028231 -0.104143
H 1.898966 -1.654744 2.207587
H 0.945303 4.291631 -1.959240
H 1.485164 -4.107934 -2.063322
H 1.140410 -5.219073 0.181441


%chk=000214298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214298

0 1
S 3.930165 0.213826 -0.821214
O 0.850522 3.890372 -0.610984
N 1.609471 0.983119 0.436234
N 1.164630 -3.407846 1.129045
C 0.131185 0.805135 0.707237
C -0.682650 1.043602 -0.609276
C 2.241498 2.314124 0.617077
C -0.367488 1.676241 1.873028
C -2.148738 0.668354 -0.461072
C 2.353354 -0.016244 -0.151345
C 2.183490 3.250065 -0.598623
C -2.543306 -0.696120 -0.436769
C -3.150860 1.663333 -0.324640
C 1.807615 -1.412006 -0.156812
C -3.900246 -1.055847 -0.281145
C -4.510506 1.308166 -0.170126
C -4.889927 -0.053771 -0.146682
C 1.607127 -2.123996 -1.366275
C 1.579108 -2.111342 1.063375
C 1.163668 -3.462162 -1.314029
C 0.949650 -4.062519 -0.051231
H -0.007459 -0.250669 0.993574
H -0.219116 0.426100 -1.403158
H -0.565259 2.104907 -0.890861
H 3.305292 2.128817 0.848010
H 1.771453 2.821469 1.473634
H -1.399869 1.375320 2.118341
H -0.383873 2.747396 1.607293
H 0.251292 1.533170 2.777413
H 2.374161 2.681327 -1.528385
H 2.974596 4.019281 -0.480442
H -1.783011 -1.480181 -0.550773
H -2.860649 2.721102 -0.342948
H -4.186725 -2.113657 -0.267753
H -5.271644 2.090552 -0.070591
H 1.816452 -1.632149 -2.321557
H -5.943364 -0.331355 -0.028438
H 1.764585 -1.619066 2.025811
H 0.788884 4.505644 -1.383498
H 0.995498 -4.035572 -2.230825
H 0.605493 -5.099423 0.032377


