%chk=000216054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216054

1 1
O -1.000715 2.352211 -0.628538
N -3.079645 -0.830942 -0.001526
C -1.665301 -0.236335 0.049548
C -3.372217 -1.531918 1.336591
C -4.131881 0.274003 -0.230039
C -3.153923 -1.826984 -1.173841
C -1.479947 0.851315 1.109303
C -0.431642 1.893700 0.627854
C -4.716606 -2.233768 1.381566
C -3.854402 1.132277 -1.448140
C -2.213276 -3.008821 -1.036061
C -0.323086 3.074020 1.588560
C 0.863544 1.286143 0.372772
C 1.953580 0.810011 0.160644
C 3.230773 0.244695 -0.086940
C 4.049349 -0.139749 0.991734
C 3.681275 0.077262 -1.410067
C 5.307559 -0.691187 0.741903
C 4.941762 -0.474735 -1.645985
C 5.754144 -0.859302 -0.573419
H -0.929691 -1.057633 0.210823
H -1.430228 0.197327 -0.961801
H -2.552951 -2.264597 1.535016
H -3.313746 -0.772114 2.152125
H -5.133775 -0.208945 -0.312861
H -4.159271 0.919948 0.682208
H -4.207387 -2.184741 -1.264921
H -2.930829 -1.268111 -2.116380
H -1.142811 0.424143 2.074172
H -2.424157 1.397903 1.315781
H -4.862379 -2.707706 2.369991
H -5.572337 -1.558011 1.248793
H -4.812796 -3.045853 0.647412
H -4.646386 1.891869 -1.568163
H -2.909477 1.707879 -1.363212
H -3.822405 0.574014 -2.391088
H -2.302917 -3.667078 -1.920020
H -1.152820 -2.724230 -0.986258
H -2.431818 -3.645804 -0.168052
H -1.258515 3.645976 1.638392
H -0.062728 2.759450 2.607194
H 0.462142 3.779863 1.278817
H -0.420813 3.019787 -1.054925
H 3.705022 -0.001612 2.016073
H 3.052554 0.383823 -2.244811
H 5.946260 -0.987575 1.575282
H 5.296545 -0.602412 -2.669611
H 6.739771 -1.287658 -0.763196


%chk=000216054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216054

1 1
O -0.964093 2.667952 -0.524938
N -3.060383 -0.783915 -0.075099
C -1.706084 -0.041802 -0.009435
C -3.296095 -1.511462 1.272539
C -4.234138 0.205520 -0.332314
C -3.009177 -1.792418 -1.256638
C -1.593178 1.031389 1.087512
C -0.451018 2.030549 0.729956
C -4.558473 -2.379023 1.343436
C -4.024646 1.188872 -1.491194
C -2.025746 -2.959102 -1.099195
C -0.292559 3.097913 1.835438
C 0.829870 1.339699 0.464725
C 1.912846 0.788570 0.227783
C 3.177394 0.162394 -0.043131
C 4.201698 0.148959 0.948169
C 3.424858 -0.448186 -1.307559
C 5.441662 -0.464032 0.677081
C 4.669061 -1.055900 -1.570613
C 5.679865 -1.067757 -0.580320
H -0.931871 -0.812015 0.131312
H -1.555465 0.431657 -0.991986
H -2.392124 -2.116535 1.453834
H -3.330632 -0.720272 2.039428
H -5.121290 -0.424227 -0.510521
H -4.393229 0.750245 0.613311
H -4.037723 -2.169540 -1.383073
H -2.755656 -1.193110 -2.146156
H -1.377875 0.587913 2.074407
H -2.512577 1.638330 1.165802
H -4.588819 -2.848333 2.342652
H -5.488342 -1.796792 1.235926
H -4.561866 -3.197071 0.604002
H -4.937701 1.806303 -1.567321
H -3.176349 1.873749 -1.325715
H -3.901471 0.685952 -2.465417
H -2.091017 -3.573127 -2.015002
H -0.975697 -2.636658 -1.007359
H -2.272906 -3.620321 -0.252298
H -1.247532 3.632276 1.980425
H 0.013834 2.637047 2.790688
H 0.482045 3.832299 1.554735
H -0.273761 3.287159 -0.875377
H 4.017840 0.621662 1.918615
H 2.644849 -0.430049 -2.076498
H 6.224335 -0.468704 1.442747
H 4.854771 -1.516840 -2.546465
H 6.645967 -1.539421 -0.788196


