%chk=000285505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285505

0 1
S 3.004060 2.194791 -0.743667
O -2.408260 2.024960 1.936495
O 3.570141 3.128297 0.209163
O 3.281837 2.303861 -2.163675
N 1.294934 2.305803 -0.578556
N -3.658548 1.004278 0.372166
C -1.131895 0.719916 0.323162
C 0.062447 1.101431 1.241898
C -0.977102 1.390660 -1.063661
C 0.731076 2.407243 0.792283
C 0.484746 1.485767 -1.521283
C -2.433413 1.298397 0.948620
C -1.208284 -0.800823 0.292800
C -4.910534 1.623763 0.900660
C -3.934251 0.117901 -0.789626
C -5.966361 1.407398 -0.194588
C -5.432747 0.285347 -1.106107
C -0.765798 -1.547871 -0.803257
C -1.704342 -1.472826 1.425744
C 3.416116 0.584820 -0.243219
C -0.829284 -2.952202 -0.785203
C -1.769239 -2.865642 1.443714
C -1.337702 -3.610879 0.342022
C 3.571533 -0.425991 -1.195703
C 3.618181 0.299847 1.111141
C -0.345288 -3.727524 -1.967952
C 3.893255 -1.725116 -0.799561
C 3.938426 -0.995045 1.517269
C 4.074863 -2.019266 0.562446
C 4.407941 -3.404922 1.003909
H 0.801352 0.277353 1.257250
H -0.294299 1.215713 2.289116
H -1.398511 2.420478 -1.022957
H -1.581275 0.856201 -1.824361
H -0.020852 3.235088 0.790024
H 1.518266 2.724206 1.512487
H 0.901945 0.457869 -1.639758
H 0.539245 1.984877 -2.519369
H -4.734691 2.697540 1.126856
H -5.193049 1.132953 1.856364
H -3.690140 -0.935673 -0.528619
H -3.294885 0.404985 -1.653918
H -6.124022 2.335425 -0.773138
H -6.944144 1.140521 0.239903
H -5.975650 -0.658128 -0.918978
H -5.590770 0.531025 -2.169586
H -0.351840 -1.051637 -1.679622
H -2.038976 -0.906020 2.295229
H -2.158198 -3.377658 2.323740
H -1.394126 -4.696309 0.365684
H 3.453601 -0.196697 -2.261333
H 3.537027 1.097090 1.858270
H -0.812990 -3.380104 -2.899736
H 0.742492 -3.620244 -2.090539
H -0.554884 -4.802065 -1.886340
H 4.012150 -2.505922 -1.547292
H 4.089895 -1.212003 2.572890
H 3.568621 -3.854274 1.557251
H 4.639741 -4.078614 0.168343
H 5.278758 -3.418648 1.676406


%chk=000285505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285505

0 1
S 2.948403 2.386672 -0.402766
O -2.577339 1.928946 1.979191
O 3.360999 3.286764 0.890905
O 3.302556 2.796867 -1.935367
N 1.060282 2.286714 -0.360458
N -3.753052 1.284470 0.113331
C -1.333675 0.545419 0.331468
C -0.146653 0.837493 1.319873
C -0.955634 1.110184 -1.087317
C 0.502235 2.202050 1.029799
C 0.568945 1.232033 -1.293642
C -2.598890 1.299357 0.867619
C -1.590236 -0.979741 0.364631
C -4.963030 1.991969 0.630116
C -4.050183 0.533288 -1.136801
C -6.020792 1.778171 -0.477574
C -5.593179 0.441224 -1.135496
C -1.084773 -1.862580 -0.620804
C -2.284437 -1.535811 1.474029
C 3.697698 0.660585 -0.125656
C -1.262330 -3.268829 -0.532793
C -2.476250 -2.928550 1.573002
C -1.969872 -3.793841 0.575303
C 4.002976 -0.122483 -1.250039
C 3.953747 0.244541 1.192656
C -0.690166 -4.183619 -1.603423
C 4.575549 -1.397211 -1.033367
C 4.526657 -1.030822 1.382793
C 4.838331 -1.870979 0.278506
C 5.446991 -3.242690 0.506445
H 0.602268 0.027534 1.233449
H -0.534626 0.835456 2.352058
H -1.388388 2.120004 -1.216301
H -1.371281 0.481968 -1.894313
H -0.248682 3.006014 1.133121
H 1.306724 2.442059 1.750654
H 1.048397 0.241341 -1.121863
H 0.795608 1.555011 -2.323933
H -4.730460 3.052721 0.825374
H -5.266309 1.543209 1.595287
H -3.560294 -0.454011 -1.129600
H -3.698451 1.096895 -2.024190
H -5.971830 2.597745 -1.218182
H -7.044824 1.748766 -0.069715
H -5.919472 -0.412692 -0.513661
H -6.002853 0.306056 -2.150797
H -0.534871 -1.467388 -1.483645
H -2.672073 -0.873237 2.257225
H -3.019782 -3.343154 2.429657
H -2.121993 -4.876622 0.658464
H 3.832412 0.271206 -2.257645
H 3.745288 0.912453 2.034899
H -1.021936 -3.882831 -2.614676
H 0.416313 -4.155079 -1.603600
H -0.997179 -5.231641 -1.445193
H 4.830178 -2.024578 -1.895269
H 4.744845 -1.374699 2.400753
H 4.717785 -3.926981 0.980394
H 5.774501 -3.705201 -0.439872
H 6.322409 -3.186217 1.178660


