%chk=000289291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289291

0 1
S 2.727518 0.256338 -1.165840
O 2.908860 1.687949 -1.286740
O 2.573207 -0.554690 -2.353979
O -3.433159 -2.136147 -0.103612
O -1.690862 3.289281 0.237482
O -4.630955 -0.270859 0.452239
O -3.382229 2.392877 -1.014542
N 1.280371 0.023639 -0.223865
N -2.330908 -0.151719 -0.188881
N -2.120937 1.084115 0.535556
C -0.031974 -0.251840 -0.875672
C 0.235001 1.082860 -0.152427
C -1.058104 -0.972069 0.045459
C -0.696395 1.005055 1.094374
C -0.663364 -0.501259 1.480021
C -3.588601 -0.781760 0.140537
C -2.490449 2.255085 -0.221120
C 3.935553 -0.413190 -0.135446
C 4.595971 0.405578 0.787023
C 4.256877 -1.771529 -0.230223
C -4.650570 -2.952996 -0.089379
C -2.006879 4.635181 -0.251867
C 5.576769 -0.137210 1.621955
C 5.237733 -2.314429 0.604732
C 5.895193 -1.496932 1.530872
C -5.099831 -3.192817 1.335448
C -1.480611 4.804009 -1.660068
H -0.121857 -0.410603 -1.951262
H 0.381810 2.067302 -0.604009
H -1.205403 -2.048307 -0.132289
H -0.542766 1.761914 1.876277
H -1.384141 -0.782099 2.260174
H 0.327602 -0.852076 1.809672
H 4.354044 1.472517 0.850001
H 3.749595 -2.408768 -0.963302
H -4.282252 -3.864770 -0.595105
H -5.418624 -2.445750 -0.700467
H -1.470999 5.249228 0.495375
H -3.098583 4.788209 -0.180281
H 6.093571 0.498451 2.339892
H 5.490921 -3.371387 0.531717
H 6.660820 -1.920682 2.182709
H -5.931317 -3.906454 1.378870
H -4.287449 -3.585395 1.958951
H -5.446813 -2.257299 1.803798
H -1.583834 5.839709 -2.005838
H -0.419167 4.533251 -1.735414
H -2.029887 4.166287 -2.370606


%chk=000289291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289291

0 1
S 2.766962 0.293918 -1.019567
O 2.993059 1.906852 -1.107438
O 2.499585 -0.587919 -2.367123
O -3.572576 -2.136918 -0.189851
O -1.971611 3.372134 0.219112
O -4.671109 -0.133807 0.401359
O -3.325516 2.144945 -1.278590
N 1.305261 -0.042938 0.253419
N -2.343941 -0.220242 -0.028848
N -2.137013 1.121975 0.497413
C 0.011349 -0.328772 -0.547724
C 0.225115 1.040178 0.061322
C -1.087111 -0.973504 0.324665
C -0.807589 1.092039 1.221353
C -0.802658 -0.368711 1.738140
C -3.632482 -0.765114 0.114758
C -2.546399 2.198006 -0.304547
C 4.193095 -0.476024 -0.063750
C 4.915369 0.347410 0.813869
C 4.483183 -1.828550 -0.301583
C -4.890905 -2.839281 -0.185825
C -2.368077 4.633116 -0.477351
C 5.999458 -0.237885 1.508448
C 5.571129 -2.392829 0.404123
C 6.320490 -1.601495 1.307005
C -5.278348 -3.280786 1.228031
C -1.475365 4.892848 -1.693534
H 0.096788 -0.536720 -1.617599
H 0.476868 1.937150 -0.510788
H -1.245914 -2.051870 0.232049
H -0.728035 1.912207 1.941072
H -1.613473 -0.572526 2.453185
H 0.175453 -0.662198 2.145105
H 4.653876 1.403828 0.930923
H 3.897722 -2.406548 -1.023658
H -4.724503 -3.696133 -0.858345
H -5.648162 -2.160598 -0.615405
H -2.245922 5.403996 0.300628
H -3.429800 4.550819 -0.768469
H 6.590686 0.371075 2.199911
H 5.832422 -3.443907 0.244572
H 7.162400 -2.046218 1.848333
H -6.214240 -3.869037 1.190956
H -4.491943 -3.914223 1.674599
H -5.448648 -2.404565 1.875580
H -1.733909 5.869865 -2.142922
H -0.409566 4.919277 -1.406331
H -1.622962 4.113478 -2.459786


