%chk=000118236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118236

0 1
N -3.139828 0.705853 -0.133323
C -5.508733 0.063059 -0.357689
C -6.964266 0.033434 0.081103
C -6.099032 -1.200786 0.249225
C -4.518762 0.907436 0.426098
C -0.241334 0.207979 0.066161
C -1.232863 -0.862072 -0.428543
C -0.821378 1.600493 -0.247312
C -2.619036 -0.660408 0.202243
C -2.213838 1.770230 0.380098
C 1.146115 0.024118 -0.608849
C 1.776522 -1.326452 -0.326932
C 2.108477 1.122268 -0.196504
C 2.521231 -1.949447 -1.342386
C 2.574695 2.028090 -1.162417
C 1.652378 -1.961701 0.917692
C 2.538503 1.253263 1.132674
C 3.126977 -3.187386 -1.114952
C 3.457012 3.049973 -0.801431
C 2.259020 -3.200815 1.141121
C 3.420522 2.276382 1.489229
C 2.996940 -3.817652 0.126747
C 3.881432 3.177899 0.524508
H -5.291133 0.061699 -1.435744
H -7.748462 0.040693 -0.671749
H -7.278068 0.589144 0.960586
H -5.803854 -1.513024 1.247220
H -6.271922 -2.066768 -0.384619
H -4.585272 0.696126 1.514883
H -4.793505 1.979483 0.293372
H -0.120597 0.110968 1.171737
H -0.862214 -1.877345 -0.195472
H -1.322398 -0.811673 -1.532013
H -0.893530 1.741407 -1.343945
H -0.148380 2.395718 0.124585
H -3.328976 -1.405496 -0.220760
H -2.571728 -0.846224 1.296496
H -2.132664 1.774413 1.488264
H -2.631679 2.756199 0.080174
H 0.974186 0.097481 -1.717556
H 2.634438 -1.465151 -2.310504
H 2.251122 1.938158 -2.197389
H 1.079491 -1.491886 1.715641
H 2.192201 0.550813 1.888454
H 3.703292 -3.661839 -1.907542
H 3.814968 3.747655 -1.556620
H 2.156551 -3.686030 2.110253
H 3.751702 2.369785 2.522105
H 3.468802 -4.781486 0.302330
H 4.568575 3.973024 0.804049


%chk=000118236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118236

0 1
N -3.164461 0.730676 -0.125543
C -5.577868 0.107160 -0.414339
C -7.014601 0.022579 0.121134
C -6.100435 -1.210810 0.184207
C -4.557618 0.962602 0.326593
C -0.246908 0.201364 0.076061
C -1.264439 -0.860762 -0.410199
C -0.827234 1.607932 -0.216405
C -2.663905 -0.628524 0.191396
C -2.236125 1.767542 0.385790
C 1.159554 -0.004997 -0.579286
C 1.781379 -1.383162 -0.298796
C 2.138721 1.121348 -0.202458
C 2.589843 -1.991122 -1.293667
C 2.476603 2.120414 -1.149894
C 1.624696 -2.061386 0.938222
C 2.708119 1.204862 1.094914
C 3.224939 -3.231773 -1.066126
C 3.354046 3.177324 -0.815646
C 2.257274 -3.303041 1.172532
C 3.580995 2.261244 1.435946
C 3.062075 -3.894463 0.172446
C 3.909016 3.253242 0.481926
H -5.458959 0.136974 -1.503701
H -7.838988 0.023466 -0.597590
H -7.239149 0.538264 1.061120
H -5.716732 -1.507380 1.166181
H -6.308870 -2.046619 -0.490471
H -4.673221 0.792839 1.432190
H -4.786167 2.031599 0.143081
H -0.140815 0.110986 1.179587
H -0.920797 -1.879516 -0.153179
H -1.340210 -0.804620 -1.514928
H -0.890158 1.756718 -1.313381
H -0.164959 2.394523 0.189567
H -3.375203 -1.368461 -0.213302
H -2.618108 -0.786828 1.304496
H -2.158957 1.726403 1.506884
H -2.644268 2.762103 0.123460
H 0.999731 0.062814 -1.676090
H 2.726373 -1.480587 -2.255479
H 2.046494 2.070722 -2.158275
H 0.995632 -1.629908 1.725553
H 2.483129 0.431138 1.837777
H 3.843923 -3.680500 -1.851500
H 3.603451 3.937420 -1.564989
H 2.119895 -3.809626 2.134982
H 4.012220 2.307360 2.442762
H 3.551992 -4.857707 0.353970
H 4.590755 4.069776 0.745268


