%chk=000290204.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290204

0 1
S -5.607462 0.821758 0.683326
O 4.163732 -2.863495 -0.565265
N 4.215939 1.166069 0.049097
N -0.712095 -0.166965 -0.183138
N -2.154926 -1.989236 0.341973
N -4.518419 -1.680322 0.803976
C 4.203785 -0.281593 0.447625
C 2.917475 -0.938971 0.018446
C 4.407253 1.299605 -1.435667
C 5.273173 1.917413 0.806207
C 1.689971 -0.290529 0.127657
C 0.497301 -0.940840 -0.260986
C -3.097246 0.255278 0.228264
C 2.923472 -2.263497 -0.479082
C -3.240634 1.691929 0.035842
C -1.978061 -0.637216 0.130074
C 4.018742 2.706205 -1.893267
C 4.837232 2.122226 2.257725
C 0.526916 -2.253155 -0.754100
C -4.327795 -0.358522 0.577683
C -4.514764 2.132057 0.245534
C 1.750215 -2.920496 -0.860167
C -2.125439 2.583687 -0.379297
C -5.072558 3.491576 0.157806
C -3.399463 -2.446163 0.665431
H 4.271419 -0.345590 1.560800
H 5.077345 -0.851177 0.050975
H 5.443678 1.063159 -1.759139
H 3.743143 0.557806 -1.935762
H 6.265625 1.418323 0.770688
H 5.401484 2.912270 0.321925
H 1.676173 0.732851 0.512889
H -0.586995 0.853213 -0.205759
H 3.023666 2.978863 -1.518505
H 4.718212 3.465952 -1.526189
H 3.996948 2.769523 -2.986032
H 3.831984 2.561590 2.306545
H 4.799727 1.177850 2.813268
H 5.524273 2.793159 2.783155
H -0.394386 -2.762882 -1.047399
H 1.778656 -3.939977 -1.235010
H -1.191491 2.369620 0.163228
H -1.929891 2.485282 -1.459411
H -2.352974 3.644053 -0.192707
H -4.646669 4.150320 0.932814
H -4.858945 3.952287 -0.820669
H -6.165518 3.522340 0.284912
H -3.498503 -3.531331 0.831542
H 4.097898 -3.785606 -0.913060


%chk=000290204-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290204

0 1
S -5.620028 0.986464 0.007237
O 4.326339 -3.046918 -0.112963
N 4.125823 1.211302 -0.094445
N -0.667440 -0.383206 0.028320
N -2.304990 -2.096153 -0.155011
N -4.696098 -1.625841 -0.172609
C 4.298836 -0.236050 0.190276
C 3.006464 -1.033671 0.051095
C 4.046389 1.471540 -1.560397
C 5.146370 2.049646 0.591564
C 1.746763 -0.409883 0.090962
C 0.535846 -1.147227 -0.016185
C -3.049752 0.231544 0.011127
C 3.046163 -2.445797 -0.092818
C -3.032313 1.688012 0.120816
C -1.996294 -0.764617 -0.039731
C 3.357149 2.805336 -1.904873
C 4.875632 2.213235 2.099327
C 0.593300 -2.556447 -0.163637
C -4.366852 -0.311055 -0.061622
C -4.307485 2.238518 0.130583
C 1.852273 -3.191772 -0.199474
C -1.790366 2.554909 0.216186
C -4.709228 3.688126 0.237615
C -3.619508 -2.454303 -0.214687
H 4.667999 -0.348214 1.227546
H 5.080770 -0.700768 -0.456095
H 5.060656 1.435267 -2.032965
H 3.461204 0.647000 -2.007313
H 6.178274 1.644669 0.433172
H 5.129569 3.050056 0.122878
H 1.746578 0.682301 0.209420
H -0.508890 0.619541 0.125086
H 2.334757 2.826267 -1.486339
H 3.905523 3.676966 -1.504162
H 3.289924 2.929808 -3.001637
H 3.879580 2.661400 2.260381
H 4.903187 1.246273 2.633377
H 5.638533 2.868873 2.559249
H -0.335795 -3.120606 -0.244602
H 1.894867 -4.283623 -0.310538
H -1.191131 2.325154 1.119853
H -1.141752 2.451193 -0.676494
H -2.059002 3.621384 0.285714
H -4.444302 4.109802 1.226023
H -4.209621 4.303162 -0.533976
H -5.796450 3.816537 0.105976
H -3.826581 -3.524460 -0.305984
H 4.246311 -4.024973 -0.236429


