%chk=000247616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247616

0 1
S 3.504308 -0.866858 -0.734483
O -3.503585 -2.011401 0.377865
O -3.499356 2.603338 0.155494
O 4.815522 2.211648 1.142764
O 5.749899 0.908085 -0.426625
N -0.436265 -1.858620 0.025945
N -1.448891 1.576248 -0.022905
N -3.505471 0.290403 0.269276
N 0.615515 0.170083 -0.191063
N 2.214426 -3.130774 -0.158748
C -1.422308 -0.872139 0.089353
C -0.741509 0.376247 -0.047902
C -2.857214 -0.989834 0.256446
C 0.780837 -1.208531 -0.145228
C -2.870530 1.563783 0.135573
C -0.693052 -3.295775 0.123148
C -0.737418 2.868325 -0.174945
C -4.985879 0.330587 0.434812
C 2.088384 -1.863236 -0.277037
C 3.351590 0.762401 0.027330
C 4.755240 1.239306 0.168165
H -0.341308 -3.821553 -0.787240
H -0.145569 -3.735948 0.981355
H -1.779492 -3.496209 0.252684
H -0.010515 3.003916 0.645096
H -1.462015 3.706278 -0.149361
H -0.196315 2.896945 -1.137250
H -5.386059 -0.698168 0.512037
H -5.455451 0.833180 -0.428784
H -5.254996 0.888374 1.348644
H 2.810865 0.741456 1.001358
H 2.742216 1.450337 -0.608079
H 3.124248 -3.580982 -0.250242
H 5.735448 2.570484 1.270649


%chk=000247616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247616

0 1
S 3.598873 -0.933733 -0.725670
O -3.538914 -2.003080 0.517765
O -3.433289 2.686046 0.088753
O 4.579391 2.460404 1.257584
O 5.474048 1.429654 -0.627347
N -0.453745 -1.890543 -0.006168
N -1.395153 1.548182 -0.141646
N -3.449331 0.350535 0.291228
N 0.599960 0.117001 -0.341266
N 2.077875 -3.243928 -0.529835
C -1.425986 -0.888812 0.066823
C -0.743928 0.325426 -0.143575
C -2.852265 -0.955645 0.308944
C 0.763096 -1.246158 -0.259940
C -2.792000 1.599299 0.078673
C -0.730798 -3.337518 0.142812
C -0.645016 2.799086 -0.368401
C -4.911727 0.441844 0.518508
C 2.048300 -1.938903 -0.444413
C 3.450249 0.515740 0.481709
C 4.607769 1.464117 0.269096
H -0.488680 -3.862447 -0.793164
H -0.092686 -3.759778 0.933824
H -1.796721 -3.448244 0.392246
H 0.065804 2.975393 0.457352
H -1.374307 3.620700 -0.412025
H -0.083977 2.733053 -1.315094
H -5.286121 -0.580819 0.668525
H -5.399317 0.908998 -0.352372
H -5.116915 1.063770 1.404743
H 3.451009 0.148835 1.520349
H 2.486145 1.011643 0.276193
H 3.030433 -3.642059 -0.643004
H 5.333225 3.093335 1.106899


