%chk=000116601.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116601

0 1
 O    3.987100       1.609900      0.2025000    
 O   -2.470600       2.079400      1.2700000E-02
 N    3.368900      -1.134100      0.1231000    
 N   -1.327400      3.0400001E-02  3.1000001E-03
 C    2.357500     -0.1489000      0.1132000    
 C    3.491400      -2.069000     -0.9766000    
 C    4.304200      -1.212400       1.226500    
 C    2.686200       1.206100      0.1530000    
 C    1.019900     -0.5408000      6.3199997E-02
 C   3.1199999E-02  0.4280000      5.3700000E-02
 C    4.387400      -1.514800      -2.071100    
 C    3.771300      -2.102900       2.336000    
 C    1.677100       2.169000      0.1429000    
 C   0.3394000       1.777100      9.2799999E-02
 C   -2.473000      0.8381000     -1.4600000E-02
 C   -3.745600      0.1344000     -4.1499998E-02
 C    4.644800       1.829300      -1.043600    
 C   -4.887800      0.7361000      0.4867000    
 C   -3.823700      -1.142400     -0.5976000    
 C   -6.108000      6.0899999E-02  0.4588000    
 C   -5.044000      -1.817500     -0.6255000    
 C   -6.186200      -1.215800     -9.7400002E-02
 H    3.917900      -3.013500     -0.6167000    
 H    2.515000      -2.326600      -1.403200    
 H    5.261400      -1.618700      0.8773000    
 H    4.536600     -0.2318000       1.653400    
 H   0.7557000      -1.595300      4.3499999E-02
 H    3.947200     -0.6240000      -2.528100    
 H    5.376400      -1.251700      -1.683300    
 H    4.522100      -2.261000      -2.860700    
 H    2.838700      -1.704200       2.748700    
 H    3.569000      -3.114500       1.968800    
 H    4.499700      -2.175200       3.149600    
 H    1.927300       3.226300      0.1742000    
 H  -0.3812000       2.580900      8.8200003E-02
 H   -1.450400     -0.9780000      2.6400000E-02
 H    5.491400       1.142700      -1.121700    
 H    5.027500       2.853900      -1.054900    
 H    3.979300       1.694600      -1.902900    
 H   -4.848700       1.728200      0.9292000    
 H   -2.973200      -1.636300      -1.057700    
 H   -6.997400      0.5289000      0.8707000    
 H   -5.107500      -2.808000      -1.066900    
 H   -7.136700      -1.740600     -0.1209000    


%chk=000116601-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116601

0 1
O 4.026298 2.012531 0.356335
O -2.608741 2.050633 0.719961
N 3.460336 -0.795484 -0.290849
N -1.336589 0.190965 0.051757
C 2.413304 0.133575 -0.023536
C 3.093776 -2.046392 -0.997116
C 4.535584 -0.913128 0.739805
C 2.698272 1.506213 0.297729
C 1.043093 -0.236318 -0.097722
C -0.003829 0.686198 0.166753
C 4.305492 -2.773341 -1.609487
C 4.143638 -1.788912 1.954221
C 1.655828 2.401140 0.596130
C 0.299185 2.018651 0.541816
C -2.538647 0.856472 0.290532
C -3.783378 0.043563 0.023404
C 4.702865 2.079682 -0.958028
C -4.969750 0.439138 0.693186
C -3.832494 -1.052575 -0.879109
C -6.174814 -0.263619 0.490020
C -5.041434 -1.752910 -1.086405
C -6.213738 -1.365836 -0.396948
H 2.544650 -2.757291 -0.333311
H 2.399327 -1.769725 -1.812361
H 5.441420 -1.321621 0.256734
H 4.781609 0.106234 1.078426
H 0.783044 -1.275841 -0.328561
H 4.890260 -2.089335 -2.250178
H 4.978068 -3.190614 -0.839851
H 3.952683 -3.614881 -2.232955
H 3.245004 -1.384998 2.454084
H 3.938478 -2.835960 1.663296
H 4.967651 -1.800350 2.691422
H 1.931601 3.429411 0.852008
H -0.504796 2.719190 0.767352
H -1.411763 -0.797645 -0.196194
H 4.755677 1.077772 -1.423160
H 5.713639 2.464444 -0.751368
H 4.163840 2.776689 -1.627883
H -4.919392 1.305819 1.360185
H -2.949770 -1.342514 -1.463347
H -7.082792 0.047034 1.018269
H -5.071915 -2.589464 -1.793161
H -7.150578 -1.910402 -0.558593


