%chk=000214448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214448

0 1
O -0.249209 -1.472579 -0.429502
N -4.897093 -0.514002 -0.189478
N -0.526113 0.779913 -0.352970
C -5.833562 -0.437019 0.981864
C -5.517419 0.360401 -1.241330
C -6.595617 0.904464 0.903904
C -6.398974 1.415036 -0.535240
C -3.509981 -0.078233 0.167300
C -2.541622 -0.740179 -0.835210
C -1.140766 -0.378947 -0.538619
C 1.005316 -0.894878 -0.158635
C 0.838835 0.480697 -0.099043
C 2.107228 -1.832700 -0.035648
C 1.804587 1.541180 0.183391
C 3.403710 -1.449464 -0.421794
C 1.877639 -3.128449 0.460373
C 1.720508 2.768516 -0.496247
C 2.812103 1.341548 1.143003
C 4.459790 -2.354602 -0.298560
C 2.940336 -4.026317 0.578208
C 2.647681 3.777962 -0.227571
C 3.734103 2.357061 1.405473
C 4.231392 -3.640970 0.201779
C 3.656193 3.573891 0.719849
H -5.309707 -0.565760 1.945372
H -6.534243 -1.293692 0.878511
H -6.136382 -0.305500 -1.879862
H -4.759664 0.824799 -1.897132
H -6.201255 1.627928 1.636434
H -7.662513 0.769462 1.142676
H -7.362264 1.538514 -1.055187
H -5.913220 2.404834 -0.539926
H -3.371597 1.025287 0.161328
H -3.263541 -0.420566 1.195960
H -2.794973 -0.436784 -1.876636
H -2.675265 -1.847192 -0.813817
H 3.581832 -0.449236 -0.819733
H 0.867783 -3.424580 0.746658
H 0.923649 2.928280 -1.224303
H 2.868514 0.398789 1.686682
H 5.464344 -2.056959 -0.596529
H 2.761962 -5.029240 0.963587
H 2.581685 4.727555 -0.756171
H 4.513377 2.200945 2.149538
H 5.058208 -4.343078 0.295863
H 4.376804 4.362569 0.926687


%chk=000214448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214448

0 1
O -0.229779 -1.627100 -0.384880
N -4.949047 -0.532713 -0.231492
N -0.555031 0.625947 -0.447460
C -5.919106 -0.395196 0.893851
C -5.497395 0.399713 -1.263601
C -6.297267 1.122208 0.971203
C -6.092535 1.634898 -0.492684
C -3.540589 -0.237598 0.142415
C -2.563528 -0.889341 -0.874558
C -1.136746 -0.556640 -0.581382
C 1.031010 -1.008907 -0.122598
C 0.814030 0.374536 -0.136660
C 2.166942 -1.925034 0.012557
C 1.705493 1.512894 0.156614
C 3.483117 -1.531056 -0.360825
C 1.956835 -3.253674 0.480357
C 1.411986 2.781082 -0.416517
C 2.816967 1.402206 1.036845
C 4.558630 -2.435249 -0.246939
C 3.036058 -4.154283 0.589363
C 2.225953 3.899610 -0.141667
C 3.627550 2.523371 1.312161
C 4.343607 -3.749495 0.232022
C 3.341515 3.776161 0.719676
H -5.491342 -0.793178 1.829630
H -6.818979 -0.993116 0.650913
H -6.299801 -0.122104 -1.818299
H -4.717166 0.683766 -1.990249
H -5.623880 1.652710 1.668000
H -7.331313 1.271116 1.328707
H -7.041833 1.964671 -0.950423
H -5.398868 2.493436 -0.517920
H -3.313818 0.851706 0.207279
H -3.352410 -0.670694 1.141824
H -2.818968 -0.539976 -1.893071
H -2.701883 -1.982905 -0.861936
H 3.657640 -0.526295 -0.758066
H 0.944621 -3.569475 0.751960
H 0.536031 2.870330 -1.066555
H 3.034168 0.446054 1.524289
H 5.564201 -2.117427 -0.544053
H 2.857352 -5.172113 0.953374
H 1.988980 4.868292 -0.595913
H 4.476303 2.422022 1.997898
H 5.181677 -4.449805 0.317728
H 3.973215 4.645351 0.934381


