%chk=000224940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224940

0 1
S -0.912632 -0.851080 -1.814457
O -1.553558 -1.979522 -2.444952
O -0.334531 0.230010 -2.568218
N -1.995537 -0.176443 -0.691251
N 0.309659 -1.611598 -0.856388
C -2.751082 -1.121236 0.180508
C -1.601820 1.098660 -0.025904
C -3.998502 -0.426027 0.752383
C -2.845239 1.798984 0.547704
C -3.623625 0.867876 1.485373
C 1.365067 -0.965686 -0.161163
C 1.691571 0.379259 -0.411003
C 2.074444 -1.702161 0.812727
C 2.709999 0.992735 0.328451
C 3.086890 -1.072958 1.537078
C 3.404187 0.267447 1.312392
C 3.072514 2.419165 0.069021
H -2.116387 -1.500299 1.012993
H -3.064228 -1.997229 -0.436405
H -1.120375 1.759075 -0.786366
H -0.858524 0.920849 0.784888
H -4.529385 -1.118436 1.431154
H -4.702482 -0.195877 -0.073301
H -3.502380 2.123173 -0.284816
H -2.538293 2.718403 1.079424
H -4.536262 1.374549 1.851324
H -3.019092 0.637439 2.383190
H 0.329354 -2.640524 -0.821583
H 1.202419 0.937697 -1.213474
H 1.840297 -2.744755 0.999912
H 3.636133 -1.638552 2.290716
H 4.191963 0.745046 1.886803
H 2.424904 2.894988 -0.679876
H 3.012038 3.023676 0.984444
H 4.103893 2.500154 -0.306028


%chk=000224940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224940

0 1
S -0.943694 -0.660097 -1.945568
O -1.688065 -1.853964 -2.744618
O -0.440507 0.702817 -2.655138
N -2.176185 -0.088352 -0.644037
N 0.697942 -1.559566 -1.303798
C -2.757270 -1.193846 0.153447
C -1.741915 1.090387 0.148370
C -4.049635 -0.644717 0.811184
C -3.018556 1.684911 0.795334
C -3.747119 0.619939 1.648389
C 1.491594 -0.879321 -0.342431
C 2.143811 0.326368 -0.728347
C 1.690663 -1.403524 0.967466
C 2.986284 1.013301 0.173735
C 2.557322 -0.736728 1.857137
C 3.188122 0.468682 1.472611
C 3.697553 2.286761 -0.249997
H -2.058956 -1.545403 0.949174
H -2.990477 -2.032175 -0.525196
H -1.266986 1.813121 -0.535675
H -1.014978 0.811682 0.943703
H -4.492271 -1.439981 1.440826
H -4.773814 -0.403591 0.011050
H -3.686496 2.046992 -0.008265
H -2.728244 2.555767 1.413436
H -4.685939 1.036831 2.057972
H -3.111721 0.345356 2.515984
H 0.351865 -2.489042 -0.999759
H 1.981201 0.705910 -1.742504
H 1.184884 -2.329122 1.271400
H 2.729582 -1.147561 2.858272
H 3.846243 0.988609 2.179017
H 3.176717 2.781492 -1.087341
H 3.770616 3.006447 0.584842
H 4.729826 2.068420 -0.585376


