%chk=000198329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198329

0 1
O 1.059459 3.393291 0.224876
O -6.809946 -0.768907 0.196356
O 1.956712 -3.559616 -0.704321
O 0.377809 -1.963102 -0.831024
N -0.758130 1.837324 0.104069
N -4.290433 0.572219 0.363880
N 4.738703 -0.706879 0.387999
C -2.174958 1.609034 -0.319546
C 0.130297 0.687666 -0.262781
C -2.847728 0.712766 0.744716
C 1.567605 1.018875 0.010461
C 2.579964 0.042821 0.053427
C -0.222919 3.119949 -0.412293
C -4.490190 -0.585792 -0.569347
C -5.153837 0.397283 1.578166
C 1.946274 2.340717 0.276897
C 3.912221 0.450951 0.404822
C -5.971925 -0.641403 -0.971391
C -6.621049 0.317253 1.126688
C 2.635501 -1.387339 -0.183838
C 3.964214 -1.804657 0.034902
C 3.264641 2.732914 0.631258
C 4.261121 1.777419 0.703311
C 4.535252 -3.159862 -0.065026
C 1.537811 -2.231064 -0.588830
C 0.941208 -4.510660 -1.113806
H -2.720087 2.577719 -0.368145
H -2.259379 1.148470 -1.327090
H 0.011420 0.345640 -1.317690
H -0.182211 -0.178535 0.375405
H -2.314572 -0.258027 0.832114
H -2.753432 1.204489 1.738193
H -0.040944 3.159404 -1.504740
H -0.833388 3.975496 -0.056390
H -4.183840 -1.557629 -0.124699
H -3.858270 -0.425476 -1.468443
H -5.012006 1.279659 2.238112
H -4.892247 -0.506235 2.169638
H -6.277841 0.257764 -1.534435
H -6.217506 -1.554841 -1.539873
H -7.298281 0.041727 1.953316
H -6.953735 1.256997 0.651656
H 3.457245 3.782587 0.843459
H 5.718800 -0.708426 0.602134
H 5.278495 2.041727 0.977949
H 5.627140 -3.204929 0.008210
H 4.109457 -3.818487 0.715788
H 4.235776 -3.635254 -1.021651
H 0.113566 -4.498296 -0.397128
H 1.480990 -5.461709 -1.100955
H 0.582373 -4.253838 -2.115462


%chk=000198329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198329

0 1
O 1.030001 3.452807 0.163331
O -6.781913 -0.914707 0.412221
O 1.975103 -3.660780 -0.795384
O 0.502187 -1.949587 -1.346670
N -0.774761 1.902126 -0.138150
N -4.309371 0.616942 0.456131
N 4.628909 -0.763498 0.575809
C -2.214794 1.702131 -0.392029
C 0.087378 0.743884 -0.466208
C -2.895657 0.939051 0.768231
C 1.534172 1.030491 -0.074977
C 2.545111 0.021503 0.023954
C -0.187967 3.139228 -0.614816
C -4.455192 -0.593522 -0.395286
C -5.158319 0.485811 1.668423
C 1.912302 2.355903 0.273544
C 3.837108 0.394917 0.529074
C -5.929619 -0.789409 -0.782677
C -6.625743 0.281982 1.256993
C 2.618855 -1.429153 -0.236999
C 3.921056 -1.864541 0.126687
C 3.203275 2.694584 0.766995
C 4.184903 1.705840 0.911724
C 4.586646 -3.210634 0.086283
C 1.600147 -2.293731 -0.830837
C 0.999573 -4.585852 -1.411182
H -2.708241 2.686537 -0.487666
H -2.387767 1.161875 -1.353266
H 0.020287 0.470670 -1.545927
H -0.271652 -0.140386 0.082939
H -2.307546 0.021940 1.016567
H -2.866881 1.586296 1.663184
H 0.129469 3.098003 -1.688343
H -0.870321 3.987266 -0.453422
H -4.092319 -1.507881 0.139908
H -3.848545 -0.478331 -1.312142
H -5.070878 1.410119 2.270242
H -4.838001 -0.375396 2.308244
H -6.269553 0.073135 -1.395887
H -6.073352 -1.726504 -1.345757
H -7.267368 0.107415 2.136721
H -6.981884 1.178421 0.704451
H 3.396292 3.739358 1.026114
H 5.597050 -0.794468 0.891238
H 5.178653 1.949196 1.301829
H 5.643248 -3.136213 0.403110
H 4.067570 -3.928590 0.743456
H 4.548834 -3.642726 -0.927669
H 0.031237 -4.533732 -0.885005
H 1.452336 -5.582562 -1.304481
H 0.841142 -4.334030 -2.473729


