%chk=000178873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178873

0 1
O 1.799955 2.134666 -0.707584
O 3.918145 -1.089204 -0.887803
O 3.396646 1.651264 0.818413
O 4.214266 -2.198990 1.072535
O -4.106775 -0.122096 -1.344833
N -0.068792 -1.364937 0.835978
N 1.082067 -2.092923 0.713214
N -4.895933 -1.865003 -0.053243
C 0.171125 0.019402 0.702231
C 1.549243 0.142875 0.477297
C -1.329479 -2.046524 1.051393
C -0.854185 1.052861 0.839392
C 2.076730 -1.196185 0.497729
C -2.468356 -1.594339 0.373103
C -1.370523 -3.142732 1.925039
C 2.364003 1.341292 0.269058
C -1.625366 1.135567 2.011495
C -1.048461 1.975553 -0.200540
C -3.685890 -2.258074 0.593421
C 3.500188 -1.581317 0.325817
C -2.593227 -3.789764 2.126799
C -3.749143 -3.358979 1.478566
C -2.590815 2.136228 2.134314
C -2.021376 2.970229 -0.070052
C -2.792095 3.050650 1.093611
C 2.566917 3.306659 -1.136425
C 5.358217 -1.078261 -1.160191
C -5.039351 -0.812577 -0.995885
C 3.697526 2.864963 -2.042390
C 5.928512 0.207234 -0.600683
C -6.444621 -0.652438 -1.502176
H -2.414831 -0.744062 -0.322528
H -0.464409 -3.493189 2.423028
H -1.467005 0.424481 2.821656
H -0.429839 1.916209 -1.101470
H -2.640310 -4.645605 2.803070
H -4.688366 -3.877776 1.654092
H -3.187452 2.205160 3.042344
H -2.180356 3.679994 -0.880630
H -3.549996 3.826470 1.191532
H -5.723374 -2.414579 0.189433
H 1.786311 3.887069 -1.659603
H 2.923448 3.842548 -0.238541
H 5.366221 -1.121391 -2.263989
H 5.818782 -1.984131 -0.727384
H 4.415587 2.219629 -1.495886
H 3.327110 2.273993 -2.890288
H 4.254998 3.719428 -2.440116
H 6.947796 0.390840 -0.953495
H 5.948690 0.196912 0.499979
H 5.302199 1.078919 -0.877472
H -7.160648 -0.419518 -0.702799
H -6.805814 -1.542130 -2.035848
H -6.487393 0.185426 -2.220586


%chk=000178873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178873

0 1
O 1.744555 2.307050 -0.811246
O 4.083050 -0.992956 -0.865801
O 3.505987 1.582121 0.538875
O 3.998262 -2.594811 0.838111
O -4.310520 -0.136135 -1.416381
N -0.066736 -1.279932 0.743197
N 1.089200 -2.056728 0.680115
N -4.928351 -1.911340 -0.006308
C 0.174004 0.074801 0.472423
C 1.561312 0.162217 0.208210
C -1.309107 -1.959228 1.009949
C -0.855483 1.125886 0.658683
C 2.073634 -1.172582 0.359514
C -2.488677 -1.552416 0.349531
C -1.291694 -3.055494 1.902072
C 2.381009 1.379428 0.020034
C -1.493028 1.263605 1.922084
C -1.218416 1.997731 -0.398750
C -3.693722 -2.249619 0.616513
C 3.462017 -1.676415 0.177766
C -2.498706 -3.740505 2.151604
C -3.695823 -3.342943 1.524756
C -2.472482 2.258494 2.122117
C -2.207654 2.983837 -0.198562
C -2.835674 3.120086 1.060442
C 2.466191 3.598477 -1.032758
C 5.538570 -1.271779 -1.067760
C -5.192013 -0.917858 -0.956673
C 3.436591 3.475918 -2.210815
C 6.382149 -0.455619 -0.083333
C -6.656110 -0.863838 -1.395280
H -2.495084 -0.730092 -0.366038
H -0.350409 -3.360879 2.364627
H -1.211102 0.598952 2.746541
H -0.730009 1.892155 -1.370811
H -2.505229 -4.591094 2.840788
H -4.627910 -3.884548 1.730219
H -2.949529 2.361632 3.102952
H -2.493987 3.638383 -1.028678
H -3.602701 3.887681 1.213213
H -5.727390 -2.484639 0.275237
H 1.654662 4.316541 -1.234396
H 2.994478 3.870674 -0.102198
H 5.710285 -0.971520 -2.113782
H 5.708795 -2.356733 -0.949499
H 4.240082 2.756592 -1.980453
H 2.909781 3.141165 -3.120990
H 3.898563 4.459208 -2.418441
H 7.453445 -0.554200 -0.340561
H 6.237456 -0.815204 0.948705
H 6.101307 0.610157 -0.122736
H -7.328857 -0.682729 -0.536494
H -6.964273 -1.808385 -1.881043
H -6.774212 -0.042775 -2.116395


