%chk=000187762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187762

0 1
S 0.168129 0.142647 -1.994095
N 2.432558 -3.127442 0.275523
C -0.243307 -0.410611 -0.274560
C 0.870858 1.806836 -1.559606
C 0.344391 0.672601 0.598165
C 0.912794 1.786978 -0.050144
C 0.401366 -1.776822 -0.024624
C -1.753664 -0.467149 -0.252896
C -0.084600 2.861285 -2.091657
C 2.250963 1.885829 -2.189103
C 1.938688 -1.758614 -0.094712
C 0.345768 0.599663 1.994764
C 1.478130 2.818952 0.704074
C -2.511122 0.566290 0.320830
C -2.423571 -1.551967 -0.845630
C 0.915119 1.634633 2.743876
C 1.479566 2.740207 2.100973
C -3.907762 0.508395 0.313855
C -3.818631 -1.606074 -0.851736
C 2.548435 -3.273501 1.757437
C 3.747781 -3.407677 -0.374009
C -4.566098 -0.577329 -0.269409
H 0.024758 -2.527536 -0.754327
H 0.071483 -2.155991 0.965733
H -1.091037 2.755060 -1.660809
H -0.199649 2.797082 -3.181873
H 0.263655 3.875046 -1.858868
H 2.720459 2.860863 -2.007501
H 2.212748 1.744666 -3.277787
H 2.928191 1.118776 -1.789083
H 2.353079 -0.955985 0.551039
H 2.255666 -1.519958 -1.134631
H -0.099252 -0.258994 2.495753
H 1.916008 3.682238 0.206329
H -2.017682 1.426429 0.773497
H -1.854259 -2.356433 -1.313927
H 0.916608 1.577896 3.831115
H 1.921152 3.543788 2.687774
H -4.483116 1.315589 0.763742
H -4.324854 -2.451343 -1.314978
H 2.813273 -4.316749 1.992139
H 3.288671 -2.613011 2.231848
H 1.566714 -3.077111 2.216923
H 3.617015 -3.379975 -1.468226
H 4.557901 -2.716431 -0.101459
H 4.064547 -4.430682 -0.115199
H -5.652771 -0.620963 -0.274236


%chk=000187762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187762

0 1
S 0.066408 0.199957 -2.132920
N 2.538220 -3.054250 0.038959
C -0.327852 -0.409231 -0.324874
C 0.991922 1.805907 -1.586462
C 0.246556 0.701732 0.561099
C 0.916775 1.781781 -0.059172
C 0.392073 -1.765517 -0.072817
C -1.859272 -0.523084 -0.193918
C 0.243505 3.022838 -2.183114
C 2.450150 1.748185 -2.101340
C 1.930209 -1.710555 -0.134028
C 0.135574 0.656421 1.972542
C 1.484022 2.807103 0.737847
C -2.640202 0.653017 -0.027573
C -2.536498 -1.767629 -0.265342
C 0.701270 1.677912 2.763346
C 1.380657 2.755544 2.144305
C -4.044602 0.590035 0.065546
C -3.946550 -1.834053 -0.175443
C 2.447562 -3.560173 1.424215
C 3.928362 -3.096628 -0.459917
C -4.708579 -0.657733 -0.009884
H 0.066462 -2.508763 -0.822378
H 0.061367 -2.135531 0.918773
H -0.800391 3.055797 -1.828853
H 0.231747 2.967485 -3.286306
H 0.745547 3.966256 -1.892537
H 2.997002 2.667459 -1.813724
H 2.469906 1.670607 -3.202936
H 2.985598 0.880592 -1.680988
H 2.323805 -0.982273 0.619489
H 2.214546 -1.336321 -1.135230
H -0.403096 -0.171940 2.447005
H 2.004285 3.646405 0.261569
H -2.137153 1.624828 0.027861
H -1.974550 -2.697327 -0.393927
H 0.611882 1.640033 3.854662
H 1.820560 3.551010 2.756067
H -4.623236 1.511987 0.193890
H -4.446943 -2.807333 -0.236839
H 2.886830 -4.572579 1.476606
H 2.983369 -2.910341 2.164025
H 1.393091 -3.637393 1.740020
H 3.951034 -2.795561 -1.522215
H 4.627090 -2.427221 0.105548
H 4.317622 -4.128567 -0.389059
H -5.800981 -0.709484 0.058725


