%chk=000201703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201703

0 1
O 6.545649 0.250021 0.336652
N -0.776080 -0.379938 0.799916
C 1.725210 -0.388657 0.487264
C 1.866051 -0.600291 2.019945
C 0.389706 0.364498 0.220094
C 1.728640 -1.753344 -0.247861
C 0.630884 -1.273036 2.623991
C -0.648478 -0.493047 2.288926
C 2.929526 0.428860 0.006906
C -2.063196 0.290482 0.417804
C 1.804667 -1.630450 -1.775472
C 4.215593 0.004505 0.367873
C 2.795310 1.573579 -0.800403
C -3.207510 -0.737674 0.517555
C 1.714928 -2.997347 -2.451066
C 5.325521 0.738906 -0.071524
C 3.918404 2.288076 -1.225516
C -4.491103 -0.145623 0.007160
C 5.207015 1.886734 -0.867020
C -5.351156 0.539244 0.879705
C -4.835063 -0.266363 -1.348383
C -6.541747 1.092248 0.400817
C -6.026661 0.288304 -1.822080
C -6.882666 0.968336 -0.949737
H 2.037811 0.379354 2.506612
H 2.763678 -1.208363 2.241799
H 0.466148 1.401057 0.613814
H 0.227921 0.430970 -0.879774
H 0.802169 -2.300223 0.030389
H 2.570420 -2.370339 0.116614
H 0.541621 -2.309897 2.240648
H 0.741303 -1.356243 3.720953
H -1.535270 -1.045974 2.668325
H -0.639682 0.493993 2.799401
H -2.296819 1.182887 1.036189
H -1.990410 0.645432 -0.634054
H 2.748172 -1.129506 -2.070784
H 0.985155 -0.979205 -2.139959
H 4.377094 -0.884692 0.974211
H 1.814140 1.918754 -1.115181
H -3.321364 -1.087150 1.563177
H -2.931129 -1.648669 -0.055672
H 2.530387 -3.657531 -2.134981
H 0.772074 -3.502791 -2.212304
H 1.771658 -2.903883 -3.540955
H 3.788448 3.173471 -1.848810
H 6.076839 2.441688 -1.195268
H -5.092024 0.639618 1.931236
H -4.172493 -0.794178 -2.031614
H 7.296179 0.795147 -0.001487
H -7.206013 1.620798 1.082351
H -6.289393 0.189806 -2.873996
H -7.810162 1.398348 -1.320226


%chk=000201703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201703

0 1
O 6.648851 0.085199 0.037564
N -0.751802 -0.349886 0.849089
C 1.746283 -0.360453 0.518394
C 1.894727 -0.608848 2.059977
C 0.406142 0.405876 0.311881
C 1.710326 -1.730131 -0.242623
C 0.650259 -1.284077 2.678170
C -0.634862 -0.514045 2.318983
C 2.953747 0.472643 0.032271
C -2.048969 0.229078 0.428376
C 1.632960 -1.642778 -1.783994
C 4.261863 -0.038136 0.229056
C 2.819919 1.730225 -0.617414
C -3.225920 -0.779022 0.543420
C 1.692138 -3.039331 -2.440914
C 5.394309 0.680622 -0.204808
C 3.958608 2.446251 -1.049524
C -4.516229 -0.194478 -0.010501
C 5.257482 1.933539 -0.849002
C -5.372940 0.586845 0.808065
C -4.869345 -0.377409 -1.372947
C -6.548777 1.168899 0.282589
C -6.044055 0.201716 -1.903944
C -6.888466 0.978827 -1.077123
H 2.062055 0.371050 2.552761
H 2.793298 -1.222031 2.260593
H 0.488418 1.410952 0.804502
H 0.228670 0.580588 -0.764883
H 0.834212 -2.299608 0.117868
H 2.615263 -2.309236 0.034809
H 0.558745 -2.325589 2.319312
H 0.757356 -1.324909 3.779547
H -1.517374 -1.061193 2.695127
H -0.621602 0.488101 2.827664
H -2.303673 1.154748 1.006620
H -1.960411 0.532012 -0.632267
H 2.461001 -1.016861 -2.169099
H 0.689956 -1.143876 -2.083901
H 4.429347 -1.004045 0.715879
H 1.831743 2.162145 -0.795187
H -3.368880 -1.064353 1.602660
H -2.936720 -1.692997 -0.007053
H 2.643085 -3.550602 -2.198182
H 0.865391 -3.682201 -2.083096
H 1.616862 -2.972172 -3.542098
H 3.834024 3.413390 -1.549632
H 6.139775 2.493065 -1.186332
H -5.119715 0.732491 1.866051
H -4.221641 -0.984732 -2.018034
H 7.379684 0.659612 -0.300777
H -7.200480 1.765606 0.931317
H -6.303115 0.043984 -2.957297
H -7.801622 1.426238 -1.485716


