%chk=000187984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187984

0 1
O 0.382045 -2.398770 0.662476
O 0.586797 2.211685 0.054199
N 2.205642 0.647501 0.731607
N 0.060334 -0.097940 0.291660
C 2.296818 -0.844140 0.687829
C 3.103061 -1.389643 -0.501279
C 4.419558 -0.624436 -0.674683
C 3.414600 1.435723 0.386592
C 4.159348 0.878160 -0.834275
C 0.817923 -1.282015 0.566371
C 0.920381 1.076160 0.290721
C -1.371903 -0.047773 0.103736
C -2.067869 -1.218422 -0.246033
C -2.063456 1.165509 0.266706
C -3.449264 -1.167082 -0.430411
C -3.443755 1.200453 0.074473
C -4.150620 0.038775 -0.275327
C -5.632009 0.082343 -0.462702
H 2.728466 -1.197661 1.658969
H 2.509620 -1.322733 -1.436386
H 3.296900 -2.470335 -0.347110
H 4.961407 -1.011506 -1.559644
H 5.084668 -0.806142 0.192293
H 4.072249 1.419108 1.286899
H 3.112883 2.496909 0.219316
H 5.114253 1.422114 -0.966473
H 3.575665 1.067661 -1.757082
H -1.542467 -2.169699 -0.361860
H -1.530625 2.084015 0.529601
H -3.984472 -2.077723 -0.696469
H -3.974515 2.143524 0.199528
H -5.977993 1.060875 -0.821525
H -5.982998 -0.665460 -1.186160
H -6.149472 -0.116936 0.487740


%chk=000187984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187984

0 1
O 0.391600 -2.411530 0.627654
O 0.531802 2.272162 -0.148491
N 2.183098 0.664600 0.381158
N 0.034836 -0.072073 0.240018
C 2.268679 -0.786156 0.588441
C 3.200816 -1.445196 -0.460736
C 4.551773 -0.687567 -0.500335
C 3.393810 1.477454 0.216838
C 4.340315 0.815730 -0.814969
C 0.802058 -1.231125 0.497724
C 0.896535 1.103560 0.130751
C -1.397058 -0.029387 0.081984
C -2.088918 -1.160939 -0.419206
C -2.122522 1.136993 0.431460
C -3.490549 -1.115499 -0.563698
C -3.522609 1.162994 0.269667
C -4.236362 0.041367 -0.223564
C -5.748571 0.069796 -0.358807
H 2.648242 -1.017231 1.605097
H 2.718319 -1.400029 -1.456240
H 3.336055 -2.510312 -0.203115
H 5.212676 -1.143962 -1.259859
H 5.066150 -0.794034 0.477607
H 3.908269 1.571471 1.195115
H 3.078245 2.485426 -0.101546
H 5.308337 1.350683 -0.812479
H 3.904436 0.921697 -1.827206
H -1.540129 -2.069161 -0.675500
H -1.595251 2.020113 0.797217
H -4.012443 -1.998553 -0.951854
H -4.069450 2.075782 0.535160
H -6.117691 1.089396 -0.568056
H -6.095125 -0.593003 -1.171362
H -6.238173 -0.271370 0.574428


