%chk=000201139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201139

0 1
O -3.228366 -1.255007 -0.101971
O 1.134155 -2.790630 0.392350
O 1.704076 -0.470027 -1.856426
O 3.873023 0.676931 -0.681344
N -2.877474 1.626714 -0.190308
C -0.908496 -0.527842 -0.653528
C -2.014597 -0.691821 0.441950
C -2.453428 0.713945 0.926115
C -0.570915 -1.943899 -1.168668
C -1.434268 0.359572 -1.817948
C -1.560040 -1.614158 1.591513
C 0.283359 0.223680 -0.059549
C -1.260073 1.387412 1.636562
C -0.201809 -2.976440 -0.094641
C -2.805765 0.991918 -1.547397
C -1.186046 -3.008063 1.086008
C 0.090959 1.097264 1.039965
C 1.566842 0.165107 -0.635047
C -4.262381 2.140270 0.046183
C 1.178708 1.763124 1.615510
C 2.662447 0.854783 -0.039040
C 2.470723 1.633296 1.099209
C 2.782878 -1.443765 -1.955341
C 5.022041 1.376354 -0.144322
H -3.285264 0.578043 1.664329
H 0.258602 -1.877336 -1.907601
H -1.437235 -2.326257 -1.744494
H -1.488427 -0.221812 -2.756537
H -0.698291 1.165543 -2.025544
H -2.376880 -1.696001 2.334945
H -0.701229 -1.167051 2.127535
H -1.265606 1.106879 2.708646
H -1.421624 2.491778 1.609118
H -0.118367 -3.991057 -0.556785
H -2.984457 1.801933 -2.289104
H -3.603257 0.226076 -1.693609
H -0.731141 -3.592528 1.912172
H -2.098313 -3.563436 0.795591
H -3.051130 -2.119159 -0.521594
H -4.287644 2.679412 1.005684
H -5.043827 1.364864 0.057296
H -4.510985 2.871712 -0.739191
H 1.022571 2.411864 2.477097
H 1.230572 -1.911637 0.818850
H 3.294203 2.158484 1.573188
H 2.626359 -1.849195 -2.959784
H 2.657634 -2.213139 -1.182219
H 3.755067 -0.943341 -1.880850
H 5.242350 1.027703 0.868229
H 4.860761 2.457671 -0.179789
H 5.810605 1.075671 -0.846017


%chk=000201139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201139

0 1
O -3.332944 -1.337219 -0.206744
O 1.114456 -2.793615 0.660639
O 1.684239 -0.458078 -1.879873
O 3.798486 0.951718 -0.800997
N -2.646423 1.579012 -0.224581
C -0.939349 -0.675651 -0.639147
C -2.094910 -0.801706 0.417176
C -2.471656 0.611936 0.900561
C -0.559740 -2.126290 -1.094643
C -1.462235 0.129799 -1.891566
C -1.701945 -1.742694 1.591651
C 0.237678 0.130214 -0.000242
C -1.338141 1.131939 1.807180
C -0.195733 -3.105215 0.043112
C -2.694319 1.018482 -1.593409
C -1.314536 -3.159327 1.109689
C 0.028928 0.963324 1.149704
C 1.525080 0.169456 -0.629063
C -3.710950 2.559881 0.034708
C 1.104419 1.700605 1.687862
C 2.591227 0.946718 -0.076773
C 2.385354 1.687062 1.105551
C 2.789942 -1.440392 -2.034590
C 4.883502 1.795228 -0.295176
H -3.414001 0.514816 1.486588
H 0.252663 -2.077532 -1.831540
H -1.436616 -2.547619 -1.630608
H -1.736506 -0.581058 -2.693750
H -0.629641 0.740177 -2.278707
H -2.552023 -1.794019 2.297986
H -0.841995 -1.326428 2.144688
H -1.364934 0.635540 2.798400
H -1.507766 2.208746 1.993985
H -0.038105 -4.113979 -0.379786
H -2.698025 1.875307 -2.296037
H -3.626836 0.434835 -1.766359
H -0.965271 -3.765090 1.965205
H -2.193395 -3.692354 0.688483
H -3.164183 -2.268338 -0.498789
H -3.565233 3.030348 1.024965
H -4.737274 2.113336 0.016693
H -3.673738 3.361637 -0.725839
H 0.926861 2.322176 2.573580
H 1.145993 -1.819881 0.858904
H 3.191421 2.280965 1.545480
H 2.653579 -1.854537 -3.046031
H 2.689540 -2.235934 -1.272373
H 3.765288 -0.937693 -1.950326
H 5.217027 1.468101 0.708985
H 4.579827 2.859302 -0.257993
H 5.703512 1.668393 -1.017434


