%chk=000287419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287419

0 1
O 4.179005 -0.488075 -0.840106
O 1.287268 -0.979342 -2.937186
O 2.924696 1.385020 -1.071302
N 0.605030 -0.454603 -0.931087
N 0.373846 -0.650443 -2.233964
C -0.586148 -0.263427 -0.002893
C -0.295910 0.750179 1.111009
C -1.787986 0.364956 -0.725825
C -0.842925 -1.696795 0.488343
C 1.928118 -0.745555 -0.308021
C -1.036809 0.685850 2.303851
C -1.605633 1.398221 -1.657712
C -0.318046 -2.164202 1.700858
C 0.596583 1.812917 0.921437
C -3.092099 -0.013516 -0.370973
C -1.529687 -2.593226 -0.348359
C -0.836346 1.630161 3.312460
C -2.709613 2.005341 -2.262659
C -0.519389 -3.491594 2.093452
C 0.797548 2.756069 1.934222
C -4.193545 0.598713 -0.975041
C -1.729349 -3.917639 0.045014
C 3.000724 0.212842 -0.794039
C 0.090058 2.663272 3.135086
C -4.006046 1.604248 -1.927781
C -1.229732 -4.369527 1.271111
C 5.389414 0.219810 -1.265151
C 5.912735 1.074057 -0.130437
H 1.871202 -0.683602 0.804085
H 2.232256 -1.797999 -0.549677
H -1.786650 -0.093755 2.443717
H -0.602011 1.738722 -1.918558
H 0.253627 -1.502885 2.352984
H 1.136822 1.931310 -0.025695
H -3.261279 -0.781887 0.383490
H -1.903441 -2.255841 -1.318914
H -1.410232 1.566203 4.235576
H -2.555106 2.796144 -2.995586
H -0.115776 -3.840599 3.042906
H 1.503672 3.570780 1.776013
H -5.200728 0.291578 -0.698546
H -2.269850 -4.601138 -0.608962
H 0.248343 3.397071 3.923053
H -4.864370 2.076244 -2.401775
H -1.387465 -5.401934 1.578509
H 5.149494 0.808094 -2.169023
H 6.047115 -0.633723 -1.512833
H 6.015477 0.496944 0.797235
H 5.234160 1.914327 0.080726
H 6.895080 1.498835 -0.369832


%chk=000287419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287419

0 1
O 4.206903 -0.611717 -0.924371
O 1.460447 -0.867763 -2.795367
O 2.990687 1.370828 -1.141965
N 0.605344 -0.309239 -0.811460
N 0.392541 -0.522698 -2.162564
C -0.625322 -0.219518 0.073936
C -0.384442 0.805343 1.214273
C -1.832938 0.363464 -0.717917
C -0.847984 -1.684522 0.552237
C 1.921574 -0.684807 -0.249979
C -1.245640 0.812802 2.342283
C -1.658155 1.487024 -1.565623
C -0.438104 -2.142511 1.828190
C 0.577752 1.837625 1.085187
C -3.146325 -0.099160 -0.465198
C -1.332436 -2.635498 -0.386017
C -1.121407 1.804560 3.337200
C -2.767869 2.111402 -2.167482
C -0.544312 -3.509921 2.173651
C 0.702339 2.829325 2.084117
C -4.260983 0.528921 -1.066603
C -1.440479 -3.997995 -0.042930
C 3.055170 0.154934 -0.844092
C -0.139623 2.815802 3.217722
C -4.077957 1.634800 -1.923835
C -1.050698 -4.442765 1.243133
C 5.428780 0.075575 -1.453863
C 6.159404 0.825925 -0.337130
H 1.884384 -0.524065 0.838849
H 2.135408 -1.748787 -0.452731
H -2.032365 0.056211 2.434504
H -0.653679 1.876025 -1.758170
H -0.036492 -1.436201 2.561706
H 1.222363 1.888525 0.199784
H -3.309572 -0.953656 0.199277
H -1.614838 -2.304486 -1.391533
H -1.797276 1.793182 4.199618
H -2.611095 2.971734 -2.827430
H -0.224954 -3.842855 3.167505
H 1.453517 3.618143 1.965461
H -5.269256 0.152159 -0.861205
H -1.819567 -4.714049 -0.780360
H -0.043793 3.587678 3.989371
H -4.940324 2.121958 -2.392305
H -1.131461 -5.502382 1.509704
H 5.116852 0.756730 -2.264476
H 6.028542 -0.752955 -1.861898
H 6.409642 0.147290 0.496581
H 5.542192 1.655522 0.045934
H 7.101606 1.250663 -0.730517


