%chk=000198737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198737

0 1
N -4.699017 2.638493 -0.253043
N 4.704931 2.607811 0.259312
N 0.059078 -6.201532 0.031891
C -0.007140 -0.635369 -0.005780
C -1.245557 0.172762 -0.048781
C 1.234578 0.166299 0.041373
C -0.011439 -1.995108 -0.008481
C -3.590616 1.749930 -0.140637
C 3.589386 1.728868 0.140543
C -2.123364 0.081752 -1.140768
C 2.127449 0.042851 1.118161
C -1.542338 1.070051 0.989972
C 1.521785 1.088783 -0.977949
C -3.280824 0.852267 -1.190516
C 3.289160 0.806485 1.171596
C -2.700257 1.840248 0.956380
C 2.684017 1.852287 -0.940807
C -1.258739 -2.770853 0.079494
C 1.227283 -2.783324 -0.097627
C -1.271602 -4.113860 0.095200
C 1.230322 -4.125980 -0.090859
C -0.021763 -4.909901 0.015742
C -5.815559 2.200611 -1.135882
C -5.206303 3.235190 1.013417
C 5.830741 2.140548 1.115054
C 5.199010 3.230905 -0.999731
H -1.893459 -0.599275 -1.961630
H 1.906456 -0.659365 1.923666
H -0.856272 1.160959 1.833777
H 0.825195 1.204389 -1.809956
H -3.935864 0.768887 -2.054777
H 3.956221 0.696621 2.023658
H -2.901938 2.526599 1.775601
H 2.878275 2.558006 -1.745179
H -2.189060 -2.200828 0.154637
H 2.161033 -2.223349 -0.193905
H -2.201132 -4.673649 0.172958
H 2.149315 -4.710691 -0.168138
H -5.427665 1.999257 -2.150391
H -6.549070 3.017919 -1.232137
H -6.338870 1.301048 -0.776264
H -5.984077 3.981340 0.781971
H -5.626431 2.497837 1.715015
H -4.387111 3.776012 1.520221
H 5.456106 1.919015 2.130310
H 6.572810 2.949061 1.218861
H 6.340644 1.244924 0.727187
H 4.376708 3.788469 -1.482643
H 5.604721 2.507402 -1.723947
H 5.984885 3.966302 -0.761491
H -0.795944 -6.745103 0.102623


%chk=000198737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198737

0 1
N -4.922443 2.406284 -0.255283
N 4.923608 2.382163 0.261977
N 0.061406 -6.314296 -0.057424
C -0.005759 -0.617142 -0.008083
C -1.268448 0.154092 -0.070195
C 1.259913 0.147873 0.059599
C -0.009498 -2.038127 -0.014476
C -3.732892 1.676990 -0.199743
C 3.730564 1.659369 0.201317
C -2.363093 -0.256620 -0.889318
C 2.356782 -0.279600 0.867332
C -1.441585 1.366151 0.663194
C 1.434437 1.370397 -0.655985
C -3.557131 0.475846 -0.961897
C 3.553435 0.447244 0.945891
C -2.633433 2.104045 0.615444
C 2.629229 2.103104 -0.602249
C -1.186096 -2.809359 0.373919
C 1.162018 -2.818731 -0.406450
C -1.189625 -4.188565 0.389986
C 1.154820 -4.196600 -0.428518
C -0.018260 -4.977339 -0.022817
C -6.037996 1.934860 -1.086517
C -5.064821 3.644155 0.522098
C 6.042342 1.891211 1.077739
C 5.069459 3.628893 -0.500499
H -2.251856 -1.153660 -1.508413
H 2.246676 -1.187123 1.471012
H -0.625621 1.716891 1.305000
H 0.617385 1.733717 -1.289349
H -4.350858 0.122814 -1.626173
H 4.349276 0.079981 1.599826
H -2.714626 3.012516 1.218821
H 2.711515 3.019925 -1.192692
H -2.068332 -2.263353 0.725747
H 2.049970 -2.280187 -0.754618
H -2.077243 -4.733609 0.739521
H 2.023610 -4.767757 -0.772620
H -5.766945 1.900110 -2.161588
H -6.893093 2.619884 -0.975109
H -6.372595 0.921268 -0.786833
H -6.061769 4.076533 0.343348
H -4.963377 3.461097 1.611275
H -4.308407 4.401411 0.231956
H 5.778194 1.840513 2.153814
H 6.900315 2.573455 0.971682
H 6.369335 0.880912 0.759324
H 4.317579 4.385916 -0.198330
H 4.963545 3.459881 -1.591540
H 6.068974 4.054345 -0.319577
H -0.839883 -6.749778 0.243772


