%chk=000297025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297025

0 1
S 2.765408 -0.997915 -1.782716
O -2.735865 -3.229200 -0.093645
N -2.696330 0.308164 0.531263
N 0.749137 -2.165050 -0.299969
N -4.200407 -1.443935 0.002413
N 2.414016 -0.775340 0.823847
C -1.874934 -0.901552 0.163376
C -1.138331 -0.769315 -1.185999
C -0.916872 -1.217939 1.326643
C -2.936215 -2.039429 0.032398
C -0.209846 -1.970325 -1.428683
C 0.017373 -2.386812 0.988200
C -4.153495 0.013012 0.298555
C -2.223300 1.623904 0.222189
C -5.462547 -2.186007 0.150693
C 1.844327 -1.303167 -0.244318
C -3.075629 2.614352 -0.304682
C -0.893394 1.962487 0.559661
C -2.600923 3.916593 -0.482835
C -0.437413 3.263738 0.368525
C 3.977586 -0.124132 -0.877653
C 3.631379 -0.121665 0.503111
C -1.285746 4.248381 -0.153593
C 5.129473 0.497835 -1.340707
C 4.467532 0.516070 1.431961
C 5.953225 1.131309 -0.405859
C 5.623669 1.136985 0.961078
H -0.547585 0.170806 -1.209294
H -1.863857 -0.677382 -2.017107
H -1.486944 -1.434990 2.250582
H -0.311264 -0.309762 1.566424
H 0.327081 -1.864876 -2.394215
H -0.808969 -2.914928 -1.503925
H -0.563555 -3.335186 0.869718
H 0.752257 -2.547497 1.808919
H -4.709286 0.270539 1.231830
H -4.591818 0.581029 -0.558206
H -5.872465 -2.112672 1.171852
H -5.283925 -3.258151 -0.070626
H -6.210714 -1.809346 -0.566705
H -4.101603 2.383724 -0.579909
H -0.224962 1.209382 0.991344
H -3.268203 4.677685 -0.887359
H 0.590591 3.516691 0.631756
H -0.921610 5.262029 -0.298168
H 5.387521 0.492420 -2.398093
H 4.207764 0.514730 2.488945
H 6.864113 1.625702 -0.738292
H 6.288254 1.637107 1.665875


%chk=000297025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297025

0 1
S 2.872483 -0.920122 -1.810489
O -2.664784 -3.233527 -0.010227
N -2.833320 0.361904 0.043642
N 0.797111 -1.901530 -0.161349
N -4.221709 -1.474003 0.096444
N 2.697140 -0.907463 0.906343
C -1.933099 -0.825537 -0.012376
C -1.133632 -0.899377 -1.359125
C -1.001278 -0.927961 1.244701
C -2.946970 -1.999462 0.023359
C -0.066719 -2.024768 -1.351199
C 0.057965 -2.049922 1.115569
C -4.255911 -0.012247 0.109154
C -2.471342 1.720750 0.033678
C -5.435054 -2.285421 0.150311
C 2.015253 -1.273297 -0.168878
C -3.492794 2.721971 0.081266
C -1.113808 2.167136 -0.022441
C -3.168306 4.093781 0.072388
C -0.807154 3.541866 -0.030163
C 4.244892 -0.247205 -0.817401
C 3.942944 -0.343989 0.582862
C -1.824033 4.522931 0.016293
C 5.449767 0.305451 -1.283284
C 4.889939 0.131001 1.521512
C 6.384182 0.774591 -0.327507
C 6.102505 0.685877 1.060080
H -0.639327 0.068464 -1.548615
H -1.844271 -1.068187 -2.190079
H -1.626607 -1.110202 2.138950
H -0.485205 0.033475 1.404057
H 0.543155 -1.978737 -2.269448
H -0.558775 -3.012357 -1.311998
H -0.429004 -3.040548 1.111260
H 0.780348 -1.992376 1.943895
H -4.745504 0.365926 1.035481
H -4.831690 0.377917 -0.761227
H -5.997867 -2.101027 1.084769
H -5.128584 -3.343622 0.118169
H -6.095462 -2.074201 -0.711747
H -4.549014 2.438925 0.126299
H -0.285528 1.456683 -0.055378
H -3.979031 4.830738 0.110118
H 0.245470 3.844228 -0.071729
H -1.574999 5.588697 0.009907
H 5.669270 0.374503 -2.353363
H 4.662919 0.057452 2.589256
H 7.330620 1.207910 -0.668024
H 6.837516 1.053011 1.784882


