%chk=000200176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200176

0 1
S -2.085598 -2.807629 -0.807379
S 4.850363 -1.051298 -0.795390
N -3.009215 -0.369684 -0.349137
N 4.317436 1.016645 0.988786
N -4.600936 -2.051067 -1.151529
N 6.493069 0.134645 0.943705
C 1.899960 -2.208624 -0.089330
C 0.586614 -2.889332 -0.507468
C 3.112967 -3.109848 -0.347996
C -0.566836 -1.910534 -0.346450
C 4.403983 -2.519860 0.199977
C -3.359388 -1.558694 -0.728071
C 5.169765 0.194062 0.487127
C -3.862103 0.766299 -0.263559
C 2.921185 1.056967 0.714634
C -3.769711 1.551437 0.904185
C 2.035318 0.819543 1.784176
C -4.698734 1.167919 -1.322886
C 2.429858 1.428138 -0.551050
C -4.515039 2.725639 1.001197
C 0.661777 0.945974 1.573387
C -5.434118 2.349293 -1.207323
C 1.051354 1.551775 -0.738387
C -5.349975 3.126969 -0.048815
C 0.165690 1.306057 0.315488
H 2.016533 -1.250200 -0.640808
H 1.853038 -1.924449 0.980733
H 0.662489 -3.235399 -1.559101
H 0.425298 -3.799948 0.104303
H 2.949127 -4.103773 0.121532
H 3.205748 -3.313143 -1.435184
H -0.656206 -1.527523 0.689724
H -0.447435 -1.014279 -0.991667
H 4.308458 -2.246907 1.268130
H 5.239993 -3.242022 0.128138
H -4.754482 -3.049748 -1.173803
H -5.427865 -1.520095 -0.906715
H 7.193606 -0.186530 0.286126
H 6.811778 0.906049 1.523498
H -3.114788 1.238487 1.715289
H 2.426099 0.553830 2.764101
H -4.748857 0.577861 -2.235556
H 3.116640 1.622320 -1.371676
H -4.445402 3.336138 1.901021
H -0.029489 0.765009 2.395493
H -6.076297 2.665990 -2.028431
H 0.663792 1.841315 -1.714884
H -5.926914 4.044553 0.035689
H -0.911852 1.389172 0.156257


%chk=000200176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200176

0 1
S -2.254032 -3.662661 0.259858
S 4.580468 -0.550592 -0.715629
N -2.690301 -0.952604 0.525704
N 3.044105 0.835352 1.264690
N -4.471743 -2.285756 -0.400922
N 4.707669 -0.617222 2.031412
C 1.873462 -2.625159 0.042844
C 0.490159 -3.177251 -0.380132
C 2.972675 -2.941666 -0.994811
C -0.549894 -2.987681 0.735739
C 4.374771 -2.451032 -0.595289
C -3.203309 -2.075627 0.116537
C 4.000425 -0.000181 1.007948
C -3.293171 0.320906 0.371824
C 2.241509 1.540710 0.340226
C -3.327414 1.195686 1.494175
C 0.836039 1.580197 0.557203
C -3.790545 0.793321 -0.880586
C 2.792995 2.268879 -0.752632
C -3.861005 2.495807 1.373580
C -0.001573 2.302496 -0.317890
C -4.312647 2.100715 -0.993411
C 1.948993 2.999162 -1.616294
C -4.359256 2.957983 0.131157
C 0.549820 3.016098 -1.409245
H 1.801463 -1.530774 0.185597
H 2.165110 -3.057195 1.023569
H 0.145596 -2.658705 -1.294967
H 0.581070 -4.252865 -0.634052
H 3.030337 -4.043060 -1.135860
H 2.699181 -2.509214 -1.976711
H -0.262541 -3.514684 1.661274
H -0.740753 -1.920454 0.958536
H 4.630397 -2.752020 0.435237
H 5.149303 -2.834828 -1.282015
H -4.779702 -3.213357 -0.683738
H -5.129741 -1.508249 -0.445769
H 5.613551 -1.037566 1.839926
H 4.448921 -0.386874 2.991107
H -2.925360 0.836002 2.446949
H 0.417207 1.036157 1.410388
H -3.721503 0.150851 -1.766354
H 3.878121 2.277015 -0.904460
H -3.879078 3.154310 2.249524
H -1.082937 2.309966 -0.144695
H -4.676573 2.453122 -1.965790
H 2.387312 3.558963 -2.450772
H -4.764411 3.971357 0.039157
H -0.102472 3.583723 -2.082037


