%chk=000212791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212791

0 1
O 4.189414 -2.951323 1.110969
N -1.484050 0.184996 0.456192
N 1.250427 0.718032 1.324213
N 3.147177 -0.154475 0.171689
N 2.639741 2.269344 0.139575
N 5.326581 -0.648906 -0.954713
N 5.914013 1.505987 -1.520164
C -0.412272 -0.857271 0.303384
C -0.883526 1.554494 0.305221
C -2.586933 -0.029472 -0.553983
C 0.656708 -0.650084 1.394599
C 0.187286 1.764593 1.393306
C -3.683743 1.011303 -0.374922
C -3.208749 -1.408543 -0.381841
C 2.355151 0.932390 0.490292
C -4.232554 1.625121 -1.510479
C -3.486010 -2.177948 -1.521421
C -4.168309 1.347382 0.897738
C -3.529117 -1.909905 0.888353
C 4.296942 0.173990 -0.490867
C 4.675418 1.521695 -0.857144
C -5.256916 2.566215 -1.371223
C -4.078358 -3.437239 -1.388562
C -5.190176 2.290213 1.031943
C -4.118402 -3.169896 1.016172
C 3.776941 2.553682 -0.508689
C -5.736827 2.901154 -0.101533
C -4.394576 -3.935882 -0.121288
C 5.410855 -2.111797 -0.822205
C 6.289452 0.225456 -1.566723
C 5.480005 -2.557233 0.653358
H 0.062640 -0.852088 -0.701318
H -0.873273 -1.862051 0.435906
H -1.688850 2.311165 0.440630
H -0.443991 1.730812 -0.700246
H -2.176661 0.054063 -1.600118
H 0.200490 -0.750763 2.407512
H 1.444797 -1.430692 1.314973
H 0.630273 2.783301 1.308151
H -0.269440 1.690753 2.407681
H -3.869699 1.369388 -2.503853
H -3.248140 -1.798293 -2.512931
H -3.738055 0.870985 1.780036
H -3.310310 -1.311039 1.773800
H -5.681963 3.038157 -2.255401
H -4.294493 -4.029880 -2.275798
H -5.563409 2.547656 2.021748
H -4.365415 -3.554924 2.004146
H 3.977395 3.603535 -0.761958
H -6.534360 3.633514 0.004714
H -4.855717 -4.916087 -0.019967
H 4.504953 -2.575724 -1.291364
H 6.293475 -2.479945 -1.388797
H 7.198755 -0.157983 -2.007795
H 6.078346 -3.482414 0.765161
H 5.887478 -1.769452 1.313189
H 3.570382 -2.173067 1.102753


%chk=000212791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212791

0 1
O 3.777658 -2.692752 0.711568
N -1.581437 0.153642 -0.040016
N 1.246393 0.666969 0.264760
N 3.471503 -0.109710 0.014805
N 2.927179 2.288050 -0.077418
N 5.884051 -0.548068 -0.352604
N 6.605017 1.629509 -0.637959
C -0.573328 -0.870674 -0.422329
C -1.017519 1.504234 -0.313824
C -2.902817 -0.063124 -0.706476
C 0.720753 -0.706521 0.397459
C 0.254151 1.733073 0.518003
C -3.924360 1.006435 -0.282517
C -3.465400 -1.461353 -0.397235
C 2.579476 0.946807 0.063145
C -4.785616 1.582577 -1.246696
C -4.100748 -2.206345 -1.419346
C -4.059854 1.394417 1.074790
C -3.409615 -2.004568 0.911567
C 4.752247 0.259054 -0.242746
C 5.210570 1.604092 -0.418896
C -5.770455 2.523232 -0.866539
C -4.678586 -3.466797 -1.143138
C -5.037569 2.337346 1.457063
C -3.979078 -3.265455 1.189438
C 4.222356 2.608157 -0.310569
C -5.900579 2.903430 0.488361
C -4.620174 -4.000847 0.164090
C 5.966162 -2.027191 -0.295973
C 6.962284 0.338934 -0.591633
C 5.215373 -2.648068 0.908184
H -0.324505 -0.801212 -1.511753
H -0.981724 -1.876839 -0.233239
H -1.760515 2.272383 -0.043529
H -0.776191 1.626684 -1.399869
H -2.791491 0.009203 -1.820092
H 0.510225 -0.921683 1.464784
H 1.471967 -1.425851 0.041389
H 0.720814 2.698103 0.272305
H -0.015033 1.726744 1.594739
H -4.686775 1.294605 -2.301072
H -4.145274 -1.798800 -2.437364
H -3.381758 0.964203 1.820037
H -2.901289 -1.438673 1.700041
H -6.429944 2.960000 -1.625036
H -5.167267 -4.031234 -1.945371
H -5.129330 2.630639 2.509164
H -3.924466 -3.675769 2.204319
H 4.462073 3.672575 -0.405300
H -6.661778 3.633397 0.785812
H -5.064095 -4.978902 0.381050
H 5.542571 -2.454779 -1.224704
H 7.040822 -2.282968 -0.251409
H 7.977448 -0.032296 -0.722266
H 5.543080 -3.698017 1.011200
H 5.499149 -2.102606 1.835866
H 3.466052 -1.742391 0.495077


