%chk=000297126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297126

0 1
S -0.730862 3.175799 -0.015465
N -1.554414 0.702357 -0.103577
N 2.742654 -0.430542 -0.143219
N 0.538879 -1.362688 -0.138371
N 0.893311 1.048392 -0.121612
C -2.704711 1.528757 -0.073143
C -4.020501 0.867819 -0.097185
C -2.459983 2.877408 -0.017762
C 1.353069 -0.208709 -0.120072
C -0.430287 1.413914 -0.081101
C -4.995139 1.276219 -1.022099
C -4.303096 -0.170922 0.804972
C 3.761606 0.583053 -0.111374
C 0.944542 -2.707335 0.148818
C -3.385678 4.015921 0.043501
C -6.246834 0.655496 -1.033319
C -5.557575 -0.784976 0.787814
C -6.530977 -0.372153 -0.128233
C 4.976886 0.272345 -0.757204
C 0.341043 -3.740516 -0.595389
C 3.613632 1.790282 0.589766
C 1.875746 -3.003715 1.158808
C 6.035175 1.179354 -0.691498
C 0.688339 -5.064816 -0.328659
C 4.685125 2.684487 0.636637
C 2.214188 -4.336721 1.404109
C 5.895229 2.385340 0.002711
C 1.628159 -5.367243 0.663645
H -4.769327 2.067224 -1.735492
H -3.538363 -0.494397 1.511163
H 3.057868 -1.363567 -0.432720
H -0.481078 -1.216991 -0.288091
H -3.420119 4.565315 -0.911332
H -4.416081 3.691146 0.268160
H -3.106677 4.738935 0.826412
H -7.001328 0.971703 -1.751325
H -5.776864 -1.587973 1.489306
H -7.507205 -0.852252 -0.138449
H 5.096278 -0.656040 -1.309523
H -0.388532 -3.509609 -1.370632
H 2.671338 2.041358 1.081848
H 2.309846 -2.211454 1.768327
H 6.975429 0.944717 -1.189744
H 0.224267 -5.868938 -0.900712
H 4.571752 3.625655 1.175283
H 2.936122 -4.571430 2.187019
H 6.722931 3.089185 0.046453
H 1.896417 -6.402994 0.861949


%chk=000297126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297126

0 1
S -0.863522 3.474615 0.069421
N -1.410470 0.875331 -0.045473
N 2.736141 -0.185614 -0.103921
N 0.488569 -0.934800 0.011999
N 0.974789 1.404851 -0.003212
C -2.656347 1.531921 -0.057845
C -3.882547 0.700133 -0.111275
C -2.594035 2.924521 0.013605
C 1.387985 0.125608 -0.014550
C -0.354811 1.710216 0.011208
C -5.053978 1.121694 -0.798651
C -3.890012 -0.576904 0.516897
C 3.888053 0.649120 -0.080201
C 0.737223 -2.324937 0.176093
C -3.691260 3.948915 0.114432
C -6.204091 0.303334 -0.834042
C -5.038377 -1.394400 0.479128
C -6.204744 -0.956530 -0.192466
C 5.144671 -0.007428 -0.210041
C -0.106111 -3.238513 -0.515037
C 3.848374 2.060654 0.072798
C 1.738579 -2.833951 1.052059
C 6.342534 0.733255 -0.182617
C 0.060030 -4.628290 -0.346792
C 5.058727 2.786547 0.101357
C 1.907081 -4.228697 1.197512
C 6.308997 2.138840 -0.024353
C 1.075445 -5.133917 0.499638
H -5.053636 2.072883 -1.340534
H -2.990096 -0.912270 1.043243
H 2.935139 -1.181798 -0.231371
H -0.509915 -0.584489 -0.079061
H -3.920684 4.415784 -0.863475
H -4.617446 3.483053 0.492002
H -3.414671 4.762381 0.808755
H -7.094488 0.643833 -1.374618
H -5.025921 -2.371039 0.976147
H -7.097300 -1.591316 -0.221972
H 5.180859 -1.098191 -0.333849
H -0.879961 -2.847557 -1.185222
H 2.879410 2.554167 0.156419
H 2.339570 -2.149795 1.660984
H 7.300838 0.212034 -0.285150
H -0.598592 -5.318154 -0.885963
H 5.018417 3.875324 0.220244
H 2.678074 -4.606119 1.878673
H 7.239510 2.715824 -0.002670
H 1.208196 -6.213930 0.621142


