%chk=000206172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206172

0 1
S 2.706892 2.251977 -1.386319
S -3.866151 0.353583 2.524541
N -3.451280 -0.491145 0.059651
N -1.825479 -2.609857 -1.046418
C -3.641331 -1.904577 0.503470
C -2.973177 -0.435266 -1.352555
C -2.307774 -2.667993 0.374577
C -1.631040 -1.184731 -1.475905
C -3.422230 0.547592 0.923188
C -3.042145 1.928743 0.458291
C -0.547782 -3.368208 -1.193024
C -1.590704 2.026125 0.071425
C 0.752651 1.528713 0.543824
C 1.752100 0.926696 1.494215
C -0.604989 1.488348 0.905340
C 2.494312 -0.214283 0.854251
C 1.106800 2.123515 -0.672796
C 3.554541 0.052237 -0.037886
C -1.217059 2.653020 -1.128763
C 3.941747 1.462662 -0.315774
C 0.125962 2.698312 -1.496914
C 2.132132 -1.538878 1.127164
C 4.230298 -1.013127 -0.648244
C 2.818482 -2.595664 0.521152
C 3.863954 -2.332781 -0.367920
H -4.422532 -2.367040 -0.142585
H -4.016716 -1.959639 1.553269
H -2.867375 0.608037 -1.711687
H -3.743625 -0.923315 -1.996473
H -1.571718 -2.268101 1.105598
H -2.477591 -3.735889 0.634749
H -1.308065 -1.186456 -2.539995
H -0.841205 -0.651132 -0.899929
H -3.714965 2.264562 -0.360485
H -3.237748 2.665206 1.282851
H -0.713948 -4.416645 -0.898631
H 0.299174 -2.970797 -0.611207
H -0.258580 -3.376626 -2.257014
H 1.248396 0.585725 2.426343
H 2.458533 1.712953 1.846040
H -0.897529 1.031381 1.854853
H -1.967872 3.108110 -1.771358
H 4.079929 2.045903 0.617735
H 4.899545 1.543974 -0.874039
H 0.404921 3.183832 -2.435797
H 1.314692 -1.748116 1.815750
H 5.042221 -0.815016 -1.346489
H 2.540256 -3.623684 0.746300
H 4.396175 -3.155140 -0.842969


%chk=000206172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206172

0 1
S 2.958825 2.786854 -1.100186
S -3.661727 0.357842 2.672850
N -3.310449 -0.587566 0.128808
N -2.001793 -2.816516 -1.168864
C -3.547028 -1.978030 0.589071
C -2.979138 -0.537409 -1.318258
C -2.316289 -2.851485 0.279776
C -1.752739 -1.426270 -1.616490
C -3.330645 0.486710 0.981827
C -3.005307 1.868832 0.400459
C -0.895622 -3.726190 -1.528532
C -1.525075 2.055454 0.052508
C 0.863284 1.783775 0.660922
C 1.898498 1.222590 1.634426
C -0.513530 1.619127 0.940549
C 2.561724 -0.001960 1.011336
C 1.238723 2.399933 -0.565860
C 3.592593 0.169223 0.040145
C -1.129681 2.678148 -1.155879
C 4.146533 1.542428 -0.228733
C 0.236740 2.840016 -1.465702
C 2.098379 -1.306471 1.303063
C 4.120712 -0.964910 -0.624998
C 2.641895 -2.434982 0.648159
C 3.653457 -2.263707 -0.324360
H -4.428469 -2.378543 0.052292
H -3.756031 -1.948171 1.671160
H -2.768891 0.492204 -1.634047
H -3.849381 -0.920913 -1.886377
H -1.454066 -2.494002 0.900218
H -2.535231 -3.895240 0.571692
H -1.571263 -1.429862 -2.707422
H -0.853276 -0.980576 -1.121157
H -3.629400 2.081193 -0.490252
H -3.299572 2.595436 1.176231
H -1.152508 -4.758128 -1.229175
H 0.075050 -3.451131 -1.044984
H -0.746800 -3.715041 -2.623096
H 1.401089 0.944135 2.579469
H 2.648478 1.999484 1.876281
H -0.808967 1.138246 1.881722
H -1.887812 3.034144 -1.865026
H 4.480296 2.041245 0.695302
H 4.992979 1.501906 -0.933495
H 0.530203 3.304487 -2.413780
H 1.305225 -1.437926 2.049217
H 4.909186 -0.828956 -1.374970
H 2.281406 -3.439802 0.896359
H 4.078518 -3.132527 -0.838799


