%chk=000292045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292045

0 1
S 4.504202 1.537631 0.759142
O -0.025271 1.289893 -1.393579
O -2.913765 -2.630217 -0.603775
N 2.315006 -0.068889 0.893190
N 2.107645 1.677011 -0.528361
N -1.189600 -1.305281 0.113250
C 1.013220 -0.207356 0.285056
C 2.970763 -1.127803 1.695651
C 2.987826 1.041892 0.368438
C 0.858665 0.965730 -0.648705
C 0.153069 -1.212998 0.562911
C 3.532797 -2.245788 0.824529
C 2.421329 2.933981 -1.231257
C -2.022636 -0.109490 0.111078
C -1.748541 -2.569607 -0.284151
C -1.984794 0.743641 1.227855
C -2.867194 0.159804 -0.977141
C -0.817963 -3.744662 -0.291795
C -2.793172 1.882077 1.238268
C -3.671579 1.301645 -0.943227
C -3.635521 2.163556 0.157494
H 3.792232 -0.651636 2.291540
H 2.230997 -1.519807 2.429232
H 0.487889 -2.058524 1.186736
H 2.771403 -2.713026 0.191910
H 4.321910 -1.870491 0.154393
H 3.988446 -3.031030 1.440516
H 2.589844 3.754706 -0.509842
H 1.578921 3.206113 -1.894055
H 3.336052 2.820046 -1.842289
H -1.339168 0.525927 2.075180
H -2.902281 -0.514861 -1.832981
H -1.333990 -4.619879 -0.727679
H -0.504047 -4.040537 0.718326
H 0.081100 -3.574535 -0.900348
H -2.767517 2.552380 2.096685
H -4.328311 1.519943 -1.785212
H -4.262367 3.052939 0.173116


%chk=000292045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292045

0 1
S 4.572227 1.583077 0.733545
O 0.028112 1.205160 -1.607916
O -2.984261 -2.643050 -0.616756
N 2.339881 -0.079076 0.775780
N 2.159052 1.653052 -0.636974
N -1.171671 -1.283101 0.002502
C 1.063278 -0.204987 0.172774
C 2.914803 -1.009961 1.760225
C 3.017105 1.048395 0.294966
C 0.940608 0.932518 -0.785170
C 0.176168 -1.229573 0.423564
C 3.553932 -2.254364 1.108365
C 2.484132 2.856404 -1.404199
C -2.027606 -0.105584 0.102613
C -1.753817 -2.537480 -0.373063
C -2.019861 0.643866 1.302765
C -2.874464 0.263029 -0.965200
C -0.801523 -3.725535 -0.464231
C -2.858417 1.772558 1.429008
C -3.719795 1.383382 -0.826266
C -3.714044 2.144085 0.366157
H 3.683072 -0.443839 2.315071
H 2.117205 -1.295231 2.472436
H 0.520210 -2.084571 1.015017
H 2.824408 -2.830064 0.510034
H 4.384157 -1.953080 0.446972
H 3.960418 -2.920447 1.890554
H 2.625195 3.717284 -0.729646
H 1.641237 3.046132 -2.087835
H 3.413318 2.705967 -1.978516
H -1.372183 0.340151 2.132679
H -2.864244 -0.312501 -1.893270
H -1.347269 -4.552155 -0.942169
H -0.478403 -4.064587 0.538966
H 0.101732 -3.488886 -1.053586
H -2.852711 2.350097 2.360156
H -4.375127 1.668984 -1.656114
H -4.369256 3.016432 0.466861


