%chk=000230311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230311

0 1
O 0.042798 0.309072 -1.365185
O -3.868064 0.822856 -0.982588
N 0.686933 0.404827 0.832167
N -2.681323 -0.149217 0.709739
C -0.747328 2.162890 -0.041253
C -2.146858 2.147957 0.029803
C 1.576292 -0.777927 0.712156
C -3.305656 -1.480122 0.505136
C 0.030017 0.902398 -0.302480
C -2.961900 0.896857 -0.170887
C 2.989824 -0.374363 0.366899
C -2.267816 -2.543910 0.239875
C -0.049030 3.369735 0.092552
C -2.844734 3.345960 0.237213
C -0.749709 4.560395 0.305140
C -2.146294 4.547948 0.380214
C 3.289152 0.043621 -0.938775
C -1.369595 -2.407825 -0.828779
C 3.999771 -0.414455 1.336754
C -2.214149 -3.685075 1.052826
C 4.593116 0.417423 -1.269541
C -0.429121 -3.409190 -1.082630
C 5.304810 -0.040830 0.999622
C -1.271904 -4.684949 0.793688
C 5.602840 0.375355 -0.301237
C -0.378782 -4.549252 -0.273470
H 1.165536 -1.461475 -0.077323
H 1.529366 -1.346179 1.668188
H -4.024564 -1.426679 -0.355578
H -3.917905 -1.717946 1.405410
H 0.864475 1.010589 1.629519
H -1.867479 -0.131464 1.318511
H 1.038803 3.383937 0.016578
H -3.937365 3.333980 0.269596
H -0.206089 5.499879 0.405861
H -2.693047 5.477497 0.540607
H 2.496061 0.074582 -1.691694
H -1.396397 -1.514675 -1.462599
H 3.776473 -0.739501 2.350660
H -2.907088 -3.800116 1.883925
H 4.824289 0.739727 -2.283950
H 0.260966 -3.300965 -1.919056
H 6.089945 -0.075879 1.752999
H -1.236576 -5.571999 1.423446
H 6.619216 0.664562 -0.561850
H 0.350991 -5.330259 -0.476906


%chk=000230311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230311

0 1
O -0.120467 0.135612 -1.352889
O -4.205293 0.919280 -0.676510
N 0.989384 0.513947 0.664575
N -2.646039 -0.270949 0.572198
C -0.764472 2.075808 -0.004880
C -2.189832 2.090008 0.001969
C 1.965212 -0.582953 0.493925
C -3.424682 -1.521591 0.559182
C 0.040311 0.827526 -0.300096
C -3.079320 0.865437 -0.086959
C 3.387584 -0.077296 0.272951
C -2.564013 -2.755876 0.315903
C -0.052956 3.296025 0.136699
C -2.864269 3.331613 0.111880
C -0.737615 4.523046 0.268032
C -2.150692 4.540613 0.245734
C 3.686950 0.741353 -0.847512
C -1.557534 -2.758843 -0.685349
C 4.427457 -0.420196 1.170939
C -2.789120 -3.934559 1.070137
C 5.001718 1.207213 -1.062126
C -0.798201 -3.925673 -0.925673
C 5.746261 0.045109 0.957355
C -2.032723 -5.103431 0.824906
C 6.036161 0.861116 -0.159245
C -1.033443 -5.102323 -0.175342
H 1.610109 -1.160958 -0.378582
H 1.926468 -1.245536 1.378191
H -4.181481 -1.392357 -0.237907
H -3.981181 -1.635039 1.511432
H 1.098055 1.140616 1.465495
H -1.751659 -0.268804 1.066069
H 1.042915 3.287505 0.097333
H -3.958311 3.320753 0.081844
H -0.172806 5.456422 0.365079
H -2.692016 5.488904 0.329802
H 2.889640 0.999020 -1.555385
H -1.363481 -1.849463 -1.265879
H 4.207675 -1.056151 2.038023
H -3.561371 -3.939514 1.850117
H 5.223400 1.832534 -1.934265
H -0.027284 -3.917357 -1.704787
H 6.542493 -0.228560 1.658658
H -2.220389 -6.008950 1.413169
H 7.057074 1.221626 -0.327338
H -0.445315 -6.006909 -0.367570


