%chk=000219123.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219123

0 1
O -7.923249 -2.129918 -0.145833
N -2.474654 -0.982163 0.238956
C 1.611264 1.467079 -0.462655
C 2.900469 1.305460 0.353861
C 0.538871 2.231810 0.325089
C 3.969411 0.535234 -0.433203
C -0.749280 2.389246 -0.493192
C 5.258922 0.372439 0.382798
C -1.841942 3.109055 0.307840
C 6.327014 -0.398873 -0.404332
C -3.159028 3.232620 -0.471947
C 7.616806 -0.562005 0.411223
C -3.850005 1.887555 -0.726926
C 8.684278 -1.333590 -0.376038
C -4.382480 1.245817 0.564620
C 9.975245 -1.497631 0.438484
C -4.820486 -0.173058 0.327549
C 11.041249 -2.265086 -0.340505
C -3.882450 -1.232551 0.233480
C -6.185592 -0.455791 0.197436
C -4.328289 -2.556130 0.024560
C -6.595733 -1.777031 -0.013697
C -5.683531 -2.839474 -0.100309
H 1.224014 0.472471 -0.757732
H 1.829953 1.995812 -1.410579
H 2.682080 0.780829 1.303696
H 3.290351 2.300705 0.642299
H 0.924397 3.228281 0.615350
H 0.323304 1.705302 1.274086
H 4.188923 1.060612 -1.382728
H 3.579543 -0.459443 -0.723544
H -1.115561 1.394757 -0.821416
H -0.538465 2.946973 -1.425857
H 5.039786 -0.152136 1.332655
H 5.649716 1.367244 0.671352
H -1.490803 4.120881 0.590278
H -2.022410 2.577796 1.262738
H 6.546585 0.125711 -1.354223
H 5.936528 -1.393625 -0.693496
H -3.844284 3.907873 0.076643
H -2.967990 3.728984 -1.444282
H 7.397442 -1.086462 1.361137
H 8.007741 0.432759 0.699650
H -4.685875 2.025425 -1.439825
H -3.146163 1.192617 -1.232210
H 8.294914 -2.328543 -0.665397
H 8.904814 -0.810380 -1.326250
H -5.219252 1.853018 0.964951
H -3.603244 1.281745 1.355623
H 9.756375 -2.022984 1.388658
H 10.367205 -0.502608 0.726668
H 11.309322 -1.751482 -1.270768
H 10.698895 -3.270869 -0.609254
H 11.958350 -2.377126 0.248402
H -6.915648 0.345713 0.256647
H -3.603007 -3.365335 -0.053176
H -6.044938 -3.851911 -0.264915
H -2.204592 -0.114256 0.690960
H -1.921395 -1.749616 0.599849
H -8.517822 -1.345650 -0.089851


%chk=000219123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219123

0 1
O -8.554389 -1.722875 -0.172433
N -2.936358 -1.262504 0.374320
C 1.712642 1.350144 -0.425909
C 3.043674 1.258641 0.353924
C 0.610609 2.127762 0.328601
C 4.146613 0.487707 -0.405965
C -0.722447 2.211337 -0.449328
C 5.476559 0.390404 0.374967
C -1.818982 2.999585 0.305642
C 6.580332 -0.376817 -0.387513
C -3.152542 3.141017 -0.474088
C 7.909161 -0.477929 0.395109
C -3.919134 1.816009 -0.713535
C 9.014255 -1.242886 -0.367764
C -4.526243 1.202740 0.583416
C 10.342184 -1.344985 0.417185
C -5.150359 -0.165891 0.356735
C 11.441305 -2.109025 -0.352539
C -4.333881 -1.335931 0.244157
C -6.553271 -0.297927 0.219525
C -4.955537 -2.592094 -0.004674
C -7.155800 -1.551163 -0.030082
C -6.351556 -2.704988 -0.142696
H 1.349819 0.325216 -0.652258
H 1.895970 1.836121 -1.406998
H 2.861901 0.768044 1.333287
H 3.404974 2.283140 0.583073
H 0.971143 3.154998 0.546016
H 0.432649 1.648986 1.314968
H 4.331396 0.981419 -1.383057
H 3.783803 -0.535388 -0.639625
H -1.074336 1.183229 -0.676082
H -0.542707 2.693750 -1.432837
H 5.292657 -0.106273 1.350816
H 5.838397 1.413197 0.611104
H -1.429875 4.013909 0.530342
H -2.002668 2.523848 1.291658
H 6.766610 0.121640 -1.361951
H 6.217634 -1.398666 -0.626547
H -3.816977 3.844306 0.070025
H -2.936701 3.612452 -1.454892
H 7.723168 -0.978078 1.368824
H 8.271119 0.543857 0.635700
H -4.748751 1.995670 -1.424916
H -3.258990 1.074964 -1.203989
H 8.653719 -2.264823 -0.609801
H 9.203295 -0.742486 -1.340759
H -5.291012 1.901634 0.973934
H -3.744239 1.146538 1.369290
H 10.152582 -1.845778 1.388655
H 10.700589 -0.323476 0.659549
H 11.669145 -1.611985 -1.314574
H 11.120127 -3.143491 -0.578722
H 12.380041 -2.166166 0.228872
H -7.177080 0.602933 0.311777
H -4.334511 -3.492587 -0.090877
H -6.826575 -3.671872 -0.333615
H -2.471676 -0.388254 0.594905
H -2.378015 -2.110136 0.352419
H -9.017863 -0.854624 -0.077372


