%chk=000211181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211181

0 1
O -2.383658 2.446112 0.430621
O 2.167452 3.055246 -0.116464
O 4.022621 1.589942 0.237725
N -1.883640 -2.594657 0.255951
N 1.107588 1.075777 0.440629
C 0.142517 -1.180204 0.336323
C -0.216547 0.345650 0.355537
C -0.751112 -2.068677 -0.587779
C -0.938518 0.892807 -0.894606
C -2.032939 -0.074869 -1.375367
C -1.281801 -1.345677 -1.830434
C -0.083714 -1.795951 1.743154
C 1.623005 -1.176753 0.019001
C -1.442868 -2.512664 1.689996
C -1.368541 2.342602 -0.593382
C -3.051690 -0.419416 -0.309588
C -3.180260 -1.893527 0.006888
C 2.149916 0.133805 0.149372
C -0.219153 3.138691 0.052584
C 1.136362 2.453089 0.086024
C -3.809327 0.492563 0.310548
C 2.446540 -2.255499 -0.279323
C 3.538508 0.329818 0.031568
C -3.699436 1.968129 0.082684
C 3.822320 -2.035128 -0.439721
C 4.371045 -0.763194 -0.278435
H -0.821625 0.595001 1.265360
H -0.162858 -2.971430 -0.896481
H -0.195211 0.962033 -1.738901
H -2.572578 0.376791 -2.243538
H -1.946659 -2.014080 -2.409542
H -0.448597 -1.093399 -2.512409
H -0.049449 -1.029851 2.535826
H 0.725400 -2.509018 1.987068
H -1.357510 -3.560188 2.051216
H -2.186893 -2.008692 2.336219
H -1.749576 2.837674 -1.511901
H -3.862087 -2.070891 0.866540
H -3.656514 -2.413511 -0.860218
H -0.515320 3.389153 1.103366
H -0.099678 4.123289 -0.444582
H -4.542978 0.203052 1.062281
H 2.034583 -3.256348 -0.380250
H -3.953425 2.254211 -0.953769
H -4.329757 2.546932 0.787836
H 4.474848 -2.872843 -0.684405
H 5.441185 -0.611686 -0.386614
H 5.003532 1.635385 0.096894


%chk=000211181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211181

0 1
O -2.506550 2.438165 0.520483
O 2.107538 3.011207 -0.591635
O 4.127417 1.535452 0.583025
N -1.881140 -2.477763 0.376716
N 1.159670 1.058833 0.350473
C 0.214061 -1.201455 0.304362
C -0.166492 0.321832 0.365253
C -0.759588 -2.078740 -0.558405
C -0.989510 0.884337 -0.823934
C -2.069928 -0.096299 -1.357148
C -1.310717 -1.368970 -1.810273
C 0.023224 -1.868633 1.707091
C 1.683830 -1.179137 -0.089016
C -1.496183 -2.118578 1.777408
C -1.418069 2.332574 -0.469129
C -3.170076 -0.483584 -0.354328
C -3.227074 -1.972219 -0.030259
C 2.211033 0.126169 0.096422
C -0.222190 3.081962 0.191913
C 1.134773 2.412551 -0.056864
C -3.964137 0.435558 0.258448
C 2.517537 -2.259586 -0.430413
C 3.614054 0.327318 0.105278
C -3.816540 1.928301 0.047067
C 3.907392 -2.026446 -0.569128
C 4.448756 -0.754498 -0.281370
H -0.708196 0.545554 1.303996
H -0.204058 -2.987109 -0.866802
H -0.276332 1.004279 -1.669821
H -2.547255 0.389126 -2.235894
H -1.969248 -2.057052 -2.370835
H -0.475092 -1.104714 -2.484781
H 0.397201 -1.231509 2.526814
H 0.579169 -2.823496 1.732343
H -1.753384 -2.931838 2.480753
H -2.021750 -1.196707 2.118432
H -1.739080 2.844098 -1.403772
H -3.934596 -2.171964 0.793852
H -3.579769 -2.557826 -0.901136
H -0.429154 3.096589 1.278693
H -0.152139 4.122627 -0.157268
H -4.720291 0.099037 0.980744
H 2.107028 -3.264537 -0.575052
H -3.944111 2.201892 -1.024866
H -4.562364 2.485652 0.637248
H 4.577165 -2.842789 -0.859137
H 5.535697 -0.603411 -0.318724
H 5.082972 1.635350 0.346675


