%chk=000114318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114318

0 1
S -1.789748 3.039623 0.657073
N -0.994887 0.113245 0.696980
N 0.230152 -4.592501 -0.484051
C 3.896260 0.990618 -0.012547
C 2.455651 1.492858 0.146932
C 0.076140 1.025931 0.462925
C -0.674098 -1.258856 1.176723
C 1.407183 0.581414 0.332005
C -0.330151 -2.243864 0.047830
C -0.180956 2.410101 0.388989
C -2.307345 0.375250 0.202154
C 4.124158 -0.312973 0.777965
C 4.905908 2.036301 0.498590
C 4.124729 0.735648 -1.515331
C 2.165925 2.862805 0.047675
C 0.850322 3.317196 0.163767
C 0.169757 -3.578921 0.621567
C -2.781443 1.701925 0.118213
C -3.174206 -0.669242 -0.181587
C -4.066124 1.986593 -0.336698
C -4.469703 -0.379872 -0.614210
C -4.922105 0.939839 -0.695827
C 0.276077 -5.974810 0.081118
C 1.411417 -4.359849 -1.367241
H -1.546212 -1.630582 1.764275
H 0.168715 -1.182121 1.902651
H 1.631407 -0.483936 0.362963
H -1.222397 -2.424555 -0.592373
H 0.423661 -1.806166 -0.635528
H 3.496748 -1.130902 0.408484
H 5.165105 -0.644057 0.700586
H 3.900674 -0.174310 1.841534
H 5.931966 1.658748 0.438690
H 4.869806 2.961474 -0.087148
H 4.711107 2.298675 1.544405
H 3.980826 1.650249 -2.101615
H 5.139829 0.375776 -1.708966
H 3.426138 -0.011973 -1.905678
H 2.962885 3.583402 -0.124464
H 0.636992 4.385028 0.083555
H 1.141670 -3.437562 1.139808
H -0.548786 -3.943461 1.389107
H -2.841322 -1.707415 -0.161292
H -4.410063 3.020035 -0.408660
H -5.131572 -1.197989 -0.899270
H -5.930563 1.154524 -1.039621
H -0.645296 -6.158047 0.656977
H 1.140294 -6.186108 0.726831
H 0.281387 -6.699753 -0.749269
H 1.382269 -5.082944 -2.198550
H 2.388023 -4.444938 -0.869686
H 1.335200 -3.355753 -1.814957


%chk=000114318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114318

0 1
S -1.847464 3.192156 0.665517
N -1.111580 0.146540 0.623070
N 0.450222 -4.588503 -0.415554
C 3.870924 0.821978 0.040727
C 2.443494 1.408857 0.180258
C -0.011817 1.041565 0.436674
C -0.818523 -1.237940 1.059721
C 1.322648 0.556329 0.346648
C -0.433969 -2.248141 -0.059230
C -0.204811 2.448137 0.347576
C -2.435165 0.458635 0.187640
C 4.027362 -0.520981 0.808026
C 4.942832 1.806479 0.587678
C 4.147362 0.568469 -1.474443
C 2.204329 2.799711 0.057726
C 0.888880 3.306413 0.134570
C 0.267368 -3.480846 0.549140
C -2.891285 1.805031 0.078805
C -3.364573 -0.569191 -0.141372
C -4.190274 2.106223 -0.374851
C -4.680816 -0.267935 -0.553365
C -5.102292 1.071384 -0.684619
C 0.884340 -5.831626 0.256285
C 1.337807 -4.237648 -1.542730
H -1.699866 -1.612306 1.612011
H 0.007331 -1.181371 1.793936
H 1.496369 -0.517825 0.413035
H -1.324774 -2.593953 -0.613151
H 0.220311 -1.749295 -0.795800
H 3.396960 -1.324162 0.382855
H 5.076136 -0.865507 0.743196
H 3.768263 -0.407091 1.876879
H 5.944167 1.341562 0.523669
H 4.981964 2.744602 0.006276
H 4.747851 2.064043 1.644728
H 4.070681 1.507949 -2.051319
H 5.163487 0.154090 -1.618691
H 3.417198 -0.147205 -1.895344
H 3.031190 3.500731 -0.085803
H 0.711058 4.384439 0.054026
H 1.248787 -3.159840 0.999235
H -0.350527 -3.867471 1.384294
H -3.063676 -1.617184 -0.087099
H -4.493059 3.155440 -0.462128
H -5.367823 -1.089071 -0.785475
H -6.116630 1.312442 -1.017696
H 0.151800 -6.109315 1.035224
H 1.890634 -5.747228 0.741379
H 0.929091 -6.655003 -0.478736
H 1.421649 -5.102084 -2.224719
H 2.372192 -3.953810 -1.214640
H 0.915641 -3.396872 -2.118238


