%chk=000218960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218960

0 1
O -0.077909 1.668114 -2.251327
N 2.545686 0.169807 -0.080133
N -1.664374 1.362656 0.234538
C 2.644996 -1.303145 -0.387940
C 3.702864 0.790813 0.652966
C 4.104399 -1.825280 -0.270722
C 4.232329 -0.223263 1.699845
C 4.759457 -1.520302 1.078822
C 1.982554 1.043422 -1.144478
C 2.155671 -1.674575 -1.806024
C 1.732605 -2.012960 0.638160
C 3.168736 2.024459 1.420695
C 4.844908 1.245504 -0.283871
C 0.439100 0.934837 -1.127585
C -0.182864 1.449324 0.183503
C -2.174627 -0.026561 0.501906
C -3.651383 -0.079892 0.142151
C -1.983559 -0.365224 1.987580
C -4.130021 -1.112265 -0.676963
C -4.543270 0.885372 0.632646
C -5.488772 -1.178270 -0.999699
C -5.899775 0.817587 0.305818
C -6.375416 -0.214644 -0.509786
H 4.709508 -1.371191 -1.082085
H 4.120281 -2.914547 -0.455209
H 3.409602 -0.461044 2.405241
H 5.022340 0.253983 2.306731
H 4.587152 -2.358580 1.781217
H 5.856858 -1.459746 0.946961
H 2.353373 0.802357 -2.164764
H 2.274320 2.102530 -0.967512
H 2.241655 -2.752211 -1.978689
H 1.097516 -1.415309 -1.954053
H 2.730106 -1.170396 -2.589494
H 0.695975 -1.672421 0.546030
H 1.750219 -3.097171 0.506504
H 2.046097 -1.792415 1.665022
H 2.815305 2.807272 0.741697
H 2.323943 1.751906 2.063823
H 3.946040 2.463822 2.051657
H 4.538669 2.063270 -0.940835
H 5.708509 1.595207 0.289129
H 5.188102 0.422454 -0.922034
H 0.108512 -0.106226 -1.365709
H 0.080522 2.517706 0.346952
H 0.269134 0.896500 1.040695
H 0.048901 2.628505 -2.139522
H -2.052665 1.705317 -0.656978
H -1.618550 -0.789962 -0.107890
H -2.395350 0.426596 2.627353
H -0.923060 -0.466076 2.242126
H -2.488917 -1.300995 2.246999
H -3.447737 -1.865756 -1.065107
H -4.168110 1.690764 1.265832
H -5.855669 -1.981668 -1.635503
H -6.587487 1.569961 0.687278
H -7.431930 -0.266751 -0.762764


%chk=000218960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218960

0 1
O -0.083185 1.664564 -2.398676
N 2.686981 0.146544 -0.242510
N -1.685008 1.282215 0.097189
C 2.803417 -1.337929 -0.511767
C 3.676465 0.819476 0.672483
C 4.234855 -1.852274 -0.162584
C 4.085732 -0.187163 1.784953
C 4.712250 -1.505951 1.268416
C 2.004653 0.988254 -1.240635
C 2.580110 -1.688585 -2.011075
C 1.749477 -2.120525 0.333241
C 3.019850 2.025616 1.406673
C 4.937605 1.352701 -0.083715
C 0.449440 0.911346 -1.233245
C -0.214998 1.422204 0.064960
C -2.233331 -0.066150 0.415454
C -3.746530 -0.059354 0.184214
C -1.922069 -0.453982 1.885278
C -4.383801 -1.146379 -0.462559
C -4.540734 1.018630 0.654281
C -5.787563 -1.164819 -0.631685
C -5.942545 1.005065 0.482737
C -6.572257 -0.088271 -0.158253
H 4.935302 -1.428750 -0.907329
H 4.252596 -2.949335 -0.310658
H 3.175233 -0.409629 2.374098
H 4.788270 0.322001 2.471805
H 4.454923 -2.324257 1.967079
H 5.816480 -1.435883 1.271313
H 2.320359 0.774242 -2.283638
H 2.279415 2.045533 -1.057733
H 2.697440 -2.780251 -2.137118
H 1.572607 -1.423827 -2.375248
H 3.325866 -1.193151 -2.659245
H 0.725958 -1.791927 0.077640
H 1.818245 -3.209927 0.145172
H 1.897567 -1.944600 1.412414
H 2.765229 2.857787 0.726465
H 2.100675 1.708608 1.928649
H 3.725593 2.426398 2.157785
H 4.639864 2.039533 -0.898265
H 5.599022 1.914864 0.603199
H 5.525588 0.534114 -0.530479
H 0.116925 -0.120090 -1.442339
H 0.041636 2.497159 0.187339
H 0.225283 0.890732 0.924563
H 0.198485 2.612669 -2.308793
H -2.090497 1.637734 -0.781512
H -1.799119 -0.864698 -0.238711
H -2.305520 0.325701 2.566593
H -0.836634 -0.569885 2.058552
H -2.408595 -1.413309 2.136255
H -3.777976 -1.980167 -0.839944
H -4.043041 1.864682 1.140624
H -6.266157 -2.012182 -1.136102
H -6.545129 1.844812 0.848344
H -7.660210 -0.098735 -0.290746


