%chk=000212574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212574

1 1
O -1.680648 -1.123683 0.418922
N -4.030669 1.539878 0.646014
N -0.866866 -0.034396 0.056255
C -3.836590 0.033146 0.303998
C -2.709846 2.275831 0.567098
C -4.972572 2.169507 -0.362297
C -4.608532 1.719172 2.032561
C -2.788634 -0.645546 1.216453
C -5.160244 -0.714683 0.349207
C 0.343041 -0.377647 -0.290428
C 1.240296 0.716591 -0.750208
C 0.935575 -1.736280 -0.299462
C 2.423848 0.999557 -0.041276
C 2.053475 -2.025653 0.506162
C 2.810169 0.275433 1.175504
C 2.652112 -1.035934 1.410669
C 0.912209 1.438936 -1.909161
C 0.381620 -2.724350 -1.130018
C 3.263894 2.028359 -0.512192
C 2.603639 -3.322017 0.462617
C 1.761129 2.445081 -2.367191
C 0.945427 -3.998247 -1.170589
C 2.938470 2.738875 -1.665888
C 2.059824 -4.294902 -0.373966
H -3.426518 0.002940 -0.750008
H -2.205098 2.107797 -0.407747
H -2.830948 3.362378 0.708710
H -1.984214 1.914332 1.324931
H -5.970085 1.690727 -0.348024
H -5.124685 3.246764 -0.162898
H -4.577870 2.081411 -1.392242
H -5.610105 1.258878 2.122222
H -3.963785 1.259496 2.804680
H -4.716361 2.788306 2.296241
H -2.430970 -0.015178 2.047520
H -3.155462 -1.609641 1.633168
H -5.935244 -0.285554 -0.300595
H -5.019564 -1.749936 -0.017765
H -5.583285 -0.810380 1.357989
H 3.304295 0.900368 1.930773
H 3.019349 -1.459360 2.355244
H 0.002709 1.199798 -2.457774
H -0.487977 -2.491372 -1.743639
H 4.186363 2.258887 0.023674
H 3.470903 -3.561983 1.079674
H 1.516470 2.998741 -3.273515
H 0.522694 -4.764143 -1.820936
H 3.604950 3.523648 -2.028439
H 2.502411 -5.292052 -0.409529


%chk=000212574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212574

1 1
O -1.669864 -1.234373 0.409387
N -4.077359 1.607940 0.805446
N -0.802550 -0.097794 -0.043924
C -3.651125 0.224512 0.169796
C -2.818514 2.395484 1.206424
C -4.828291 2.434980 -0.237524
C -4.969836 1.419905 2.027792
C -2.780639 -0.621102 1.144922
C -4.836576 -0.585579 -0.372080
C 0.442307 -0.473645 -0.314480
C 1.265545 0.650296 -0.853709
C 0.991207 -1.851726 -0.195478
C 2.551035 0.987249 -0.314982
C 2.219388 -2.115456 0.498218
C 3.248388 0.225111 0.722283
C 3.103530 -1.096460 1.069501
C 0.706653 1.450155 -1.888115
C 0.258087 -2.932962 -0.756160
C 3.200336 2.156874 -0.814803
C 2.623533 -3.476143 0.654581
C 1.384419 2.578497 -2.389143
C 0.708215 -4.260574 -0.634394
C 2.637572 2.940435 -1.836819
C 1.892705 -4.535429 0.091725
H -2.982426 0.528911 -0.655598
H -2.039771 2.239538 0.444270
H -3.085101 3.459796 1.292714
H -2.444196 2.035150 2.174150
H -5.742918 1.909232 -0.541580
H -5.094552 3.407052 0.205474
H -4.173481 2.589224 -1.108704
H -5.927105 0.972951 1.723454
H -4.464112 0.764533 2.751926
H -5.151998 2.404032 2.487310
H -2.378599 -0.034826 1.990693
H -3.344991 -1.480751 1.544031
H -5.364142 -0.102592 -1.210368
H -4.420704 -1.530628 -0.765208
H -5.567023 -0.860717 0.409200
H 4.059836 0.771569 1.221231
H 3.813832 -1.480039 1.814239
H -0.260277 1.157347 -2.309854
H -0.671985 -2.725170 -1.291864
H 4.176180 2.430514 -0.397523
H 3.546678 -3.686878 1.206396
H 0.948107 3.168131 -3.202100
H 0.135182 -5.077010 -1.085502
H 3.172854 3.818887 -2.211485
H 2.240646 -5.566552 0.210730


