%chk=000217715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217715

0 1
O -1.502549 -0.137870 1.325116
N 2.348562 0.554390 -0.327227
N -2.531346 0.356207 -0.669946
C 4.643554 -0.129828 -0.954131
C 3.445437 -0.414253 -0.004540
C 5.784865 -1.127466 -0.680405
C 5.116822 1.330625 -0.841922
C 3.883145 -0.419129 1.478682
C 6.203192 -1.165270 0.795007
C 5.002061 -1.441179 1.709102
C 3.946306 2.283438 -1.107861
C 2.765473 1.984784 -0.169559
C 1.086728 0.265722 0.421775
C -0.100003 0.562929 -0.516377
C -1.408750 0.211435 0.162264
C -3.878287 0.016827 -0.277231
C -4.573438 -0.964101 -1.025249
C -4.505415 0.675692 0.804463
C -5.899066 -1.264773 -0.689464
C -5.831957 0.340399 1.121609
C -3.916527 -1.677308 -2.163513
C -3.791724 1.703887 1.614391
C -6.522020 -0.617573 0.380461
H 4.282410 -0.293168 -2.001265
H 3.044677 -1.432572 -0.256466
H 6.658554 -0.875937 -1.310159
H 5.465369 -2.138883 -0.998724
H 5.934138 1.520984 -1.560701
H 5.542622 1.517905 0.161898
H 3.022936 -0.651133 2.132043
H 4.228026 0.589154 1.775172
H 6.673762 -0.203447 1.076019
H 6.977958 -1.939946 0.945554
H 4.620215 -2.464779 1.529826
H 5.320278 -1.416805 2.768215
H 4.266582 3.333175 -0.980085
H 3.614611 2.183165 -2.160548
H 3.038780 2.238583 0.877633
H 1.901171 2.627608 -0.442187
H 0.979157 0.850020 1.361339
H 1.046625 -0.804514 0.725161
H 0.036925 -0.005281 -1.460263
H -0.090919 1.630647 -0.814862
H -2.413770 0.567016 -1.658748
H -6.445631 -2.013341 -1.259005
H -6.324117 0.834551 1.957338
H -4.511893 -2.529777 -2.518935
H -3.768042 -1.012272 -3.024648
H -2.935143 -2.080777 -1.872919
H -3.297267 2.453953 0.983562
H -4.451095 2.236674 2.308594
H -2.997271 1.220716 2.219362
H -7.551012 -0.865104 0.637455


%chk=000217715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217715

0 1
O -1.495340 -0.338214 1.402353
N 2.377214 0.456965 -0.338270
N -2.562962 0.296617 -0.585696
C 4.714966 -0.186541 -0.927205
C 3.519549 -0.430838 0.039382
C 5.900403 -1.125836 -0.580782
C 5.112630 1.311430 -0.957351
C 3.957594 -0.339403 1.534370
C 6.327273 -1.047734 0.905335
C 5.121999 -1.312878 1.837249
C 3.888675 2.186164 -1.307823
C 2.718871 1.900208 -0.344324
C 1.118253 0.150402 0.381905
C -0.119308 0.500356 -0.469927
C -1.434392 0.108868 0.220245
C -3.930280 0.011358 -0.236723
C -4.670002 -0.846194 -1.106603
C -4.534533 0.608810 0.907971
C -6.025338 -1.114088 -0.806377
C -5.890865 0.297291 1.180725
C -4.011774 -1.472156 -2.324350
C -3.785040 1.573263 1.802422
C -6.634286 -0.554673 0.338285
H 4.352154 -0.442011 -1.944947
H 3.169975 -1.472106 -0.130597
H 6.760674 -0.890133 -1.239378
H 5.606056 -2.172184 -0.806980
H 5.920006 1.463012 -1.700678
H 5.522334 1.627274 0.022482
H 3.092666 -0.570688 2.185877
H 4.273993 0.693558 1.780098
H 6.749636 -0.046999 1.127322
H 7.133168 -1.781296 1.102387
H 4.772701 -2.356969 1.691600
H 5.426234 -1.224966 2.898503
H 4.150080 3.261405 -1.262035
H 3.560229 1.962335 -2.341614
H 2.978562 2.277824 0.678579
H 1.827729 2.468758 -0.670435
H 1.040973 0.669560 1.365205
H 1.095171 -0.932130 0.602725
H -0.029962 -0.012382 -1.448469
H -0.142625 1.586706 -0.687637
H -2.380245 0.521482 -1.567579
H -6.598699 -1.775203 -1.466750
H -6.366768 0.746215 2.060404
H -4.683664 -2.208745 -2.795667
H -3.761092 -0.720445 -3.100948
H -3.072030 -1.988811 -2.054134
H -3.189027 2.291670 1.208821
H -4.483945 2.142159 2.439033
H -3.071267 1.029968 2.448057
H -7.682625 -0.776032 0.567043


