%chk=000207104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207104

0 1
S 5.309341 -0.211189 -2.415175
S 6.171874 1.673013 -0.295075
O -1.002838 -2.225191 1.223717
N 1.388783 0.211740 0.815856
N 3.627735 1.068171 -0.792146
N -1.519964 0.013269 0.976145
C 1.874216 -0.625967 -0.332624
C 2.533645 0.959080 1.436342
C 2.505984 0.294045 -1.396058
C 3.172239 1.878439 0.377192
C 0.701477 -0.642555 1.831188
C -0.677886 -1.053694 1.291894
C 4.931565 0.893759 -1.071456
C -2.805126 -0.146603 0.337276
C -3.014171 0.450431 -0.929654
C -3.847846 -0.846477 0.985655
C -4.274778 0.350116 -1.530176
C -5.096463 -0.937206 0.348669
C -1.917943 1.190349 -1.627684
C -3.649781 -1.490106 2.315303
C -5.307886 -0.343307 -0.894504
H 0.999665 -1.156168 -0.775087
H 2.598813 -1.412617 -0.025583
H 3.307634 0.290735 1.875214
H 2.136489 1.584976 2.265786
H 2.820124 -0.305227 -2.277698
H 1.749938 1.025834 -1.771531
H 2.434407 2.628278 0.008779
H 4.016496 2.453148 0.830080
H 1.256951 -1.570966 2.099742
H 0.570706 -0.076162 2.780008
H -1.113557 0.951179 0.907635
H -4.450755 0.808501 -2.501110
H -5.906731 -1.479351 0.833452
H 6.656913 -0.033394 -2.430744
H -1.749214 2.175867 -1.170769
H -0.967047 0.639191 -1.597737
H -2.147459 1.366644 -2.687794
H -3.188948 -0.804548 3.038753
H -4.582753 -1.858508 2.756969
H -2.967318 -2.359034 2.217609
H -6.282733 -0.420898 -1.374560


%chk=000207104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207104

0 1
S 5.104894 0.704420 -2.688273
S 5.882478 2.429548 -0.231582
O -1.290332 -2.558434 1.601362
N 1.376327 -0.136640 0.892613
N 3.439458 1.231390 -0.600726
N -1.326593 -0.369944 0.704629
C 1.909312 -0.709673 -0.372766
C 2.424189 0.657382 1.590671
C 2.422605 0.408721 -1.301031
C 2.933781 1.788482 0.679681
C 0.730215 -1.168167 1.742840
C -0.735009 -1.453977 1.332150
C 4.711338 1.489037 -1.044277
C -2.671414 -0.261983 0.214906
C -2.853517 0.169042 -1.134599
C -3.786283 -0.524853 1.064972
C -4.168328 0.305009 -1.635118
C -5.086821 -0.391997 0.515339
C -1.659306 0.463907 -2.026058
C -3.618678 -0.894947 2.523964
C -5.284148 0.014167 -0.820146
H 1.100073 -1.261332 -0.884584
H 2.738158 -1.429608 -0.172113
H 3.287519 0.021391 1.898820
H 1.984995 1.103779 2.501128
H 2.847164 -0.035674 -2.214080
H 1.579360 1.065035 -1.594895
H 2.105977 2.488678 0.452038
H 3.755301 2.343597 1.159873
H 1.266310 -2.141137 1.740419
H 0.712855 -0.808263 2.789288
H -0.635399 0.365261 0.478914
H -4.315074 0.629123 -2.672007
H -5.951559 -0.597003 1.157149
H 6.390506 1.205525 -2.689326
H -1.077004 1.337947 -1.669322
H -0.966458 -0.397959 -2.068015
H -1.985342 0.688685 -3.055203
H -2.866229 -0.250810 3.017141
H -4.573470 -0.789290 3.066439
H -3.259190 -1.934785 2.626629
H -6.298863 0.113946 -1.220745


