%chk=000114376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114376

0 1
S -3.927688 -0.382985 -0.699590
S 0.662176 -4.553820 0.179256
N 5.020191 2.035399 0.490609
N -0.987124 0.378937 -0.566371
C 2.788310 1.218436 -0.227926
C 3.444386 -0.042100 -0.825787
C 1.346924 0.946529 0.235291
C 3.634295 1.731756 0.961940
C 4.885801 0.267413 -1.248703
C 5.700285 0.826939 -0.070495
C 0.392275 0.781110 -0.959190
C -1.266738 -1.001898 -0.364739
C -1.899312 1.392118 -0.141534
C -2.598877 -1.466437 -0.362314
C -3.288058 1.143294 -0.132436
C -0.225913 -1.943120 -0.191648
C -1.447320 2.669109 0.251587
C -2.897703 -2.813941 -0.166526
C -4.198354 2.119297 0.264662
C -0.542610 -3.288614 -0.026787
C -2.365948 3.652423 0.625175
C -1.866864 -3.742213 -0.004563
C -3.737515 3.386564 0.637632
C 2.273048 -3.745307 0.125661
H 2.781243 2.018875 -1.010382
H 2.864513 -0.398487 -1.697223
H 3.433645 -0.865812 -0.088445
H 0.991064 1.779022 0.878034
H 1.309589 0.050471 0.885579
H 3.204166 2.680839 1.349819
H 3.606368 0.996768 1.793923
H 5.375392 -0.639527 -1.646480
H 4.881819 1.008489 -2.073978
H 5.863648 0.030085 0.686467
H 6.703276 1.150388 -0.426593
H 0.785890 0.021344 -1.674948
H 0.326433 1.731639 -1.538812
H 5.570359 2.396039 1.278697
H 0.810267 -1.614357 -0.179320
H -0.383835 2.902262 0.277602
H -3.936901 -3.151022 -0.147498
H -5.268446 1.903042 0.280195
H -2.002685 4.638196 0.916830
H -2.101874 -4.796289 0.135939
H -4.444064 4.156845 0.936644
H 2.404393 -3.029154 0.944378
H 2.453145 -3.240842 -0.830345
H 3.032130 -4.533300 0.240012


%chk=000114376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114376

0 1
S -4.078555 -0.373999 -0.680865
S 0.610288 -4.760212 0.121300
N 4.985659 2.134319 0.543270
N -1.012962 0.295539 -0.514630
C 2.796417 1.207482 -0.179684
C 3.560525 0.045137 -0.869924
C 1.381896 0.796610 0.299031
C 3.640898 1.735721 1.007275
C 4.994760 0.465560 -1.269650
C 5.756176 1.018016 -0.046503
C 0.382971 0.636151 -0.881070
C -1.351582 -1.080148 -0.332495
C -1.895548 1.361630 -0.155611
C -2.704289 -1.520147 -0.296187
C -3.308778 1.181499 -0.096017
C -0.333644 -2.068170 -0.192313
C -1.398272 2.663879 0.139893
C -3.016971 -2.877427 -0.085619
C -4.168020 2.227515 0.293287
C -0.651985 -3.434085 -0.028657
C -2.264106 3.723935 0.485984
C -2.002695 -3.848003 0.040046
C -3.654591 3.512591 0.580875
C 2.225909 -3.812930 0.043410
H 2.708609 2.043390 -0.906630
H 3.011921 -0.312647 -1.762679
H 3.617882 -0.808355 -0.158969
H 0.996511 1.559071 1.002723
H 1.443410 -0.142125 0.882727
H 3.145746 2.618560 1.454178
H 3.673555 0.936103 1.795206
H 5.544392 -0.395718 -1.695905
H 4.949015 1.255464 -2.043507
H 5.919194 0.179640 0.680633
H 6.750424 1.393283 -0.350834
H 0.741049 -0.142500 -1.577535
H 0.356345 1.578249 -1.459668
H 5.513922 2.649332 1.258225
H 0.711979 -1.761679 -0.207978
H -0.326214 2.865083 0.101911
H -4.067998 -3.182793 -0.044471
H -5.245675 2.037746 0.345346
H -1.839529 4.712376 0.692761
H -2.261656 -4.901711 0.182875
H -4.330435 4.325373 0.864391
H 2.306601 -3.104563 0.883531
H 2.330950 -3.290643 -0.920785
H 3.013707 -4.576997 0.132607


