%chk=000060026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060026

0 1
 O  -0.2705000      0.3265000      -1.879400    
 O   -1.401100       3.595500      0.6163000    
 O   -3.462600       3.615900     -0.3112000    
 N  -0.9958000       1.041700      0.2137000    
 C    4.150800     -0.1734000     -0.1673000    
 C    3.506600       1.018400      0.5538000    
 C    3.216300      -1.390600     -0.1529000    
 C    1.208300      0.1367000     -1.6500000E-02
 C    2.133800       1.353500     -2.5300000E-02
 C    1.844300      -1.054400     -0.7332000    
 C    5.498300     -0.5207000      0.4629000    
 C  -8.7200001E-02  0.4961000     -0.6768000    
 C    6.158100      -1.676500     -0.2853000    
 C    6.413700      0.7013000      0.4792000    
 C   -2.312200       1.492300     -0.1765000    
 C   -3.404800      0.7479000      0.6018000    
 C   -2.461000       2.993100      2.5699999E-02
 C   -3.344400     -0.7492000      0.4156000    
 C   -4.055400      -1.333900     -0.6203000    
 C   -2.578900      -1.511400       1.283700    
 C   -3.999600      -2.717000     -0.7926000    
 C   -2.523100      -2.894500       1.111300    
 C   -3.233500      -3.497200      7.3200002E-02
 H    4.311400      0.1162000      -1.215900    
 H    4.120900       1.919800      0.4603000    
 H    3.405900      0.8026000       1.625100    
 H    3.095300      -1.761900      0.8726000    
 H    3.625700      -2.212900     -0.7482000    
 H    1.013900     -0.1576000       1.023800    
 H    2.253000       1.729100      -1.050300    
 H    1.687400       2.173200      0.5512000    
 H    1.188900      -1.931000     -0.6577000    
 H    1.959500     -0.8451000      -1.804900    
 H    5.351900     -0.8387000       1.503700    
 H    5.636800      -2.623700     -0.1188000    
 H    7.185300      -1.827100      6.5899998E-02
 H    6.202100      -1.486300      -1.363100    
 H    6.477800       1.171100     -0.5081000    
 H    7.429900      0.4178000      0.7762000    
 H    6.083700       1.451200       1.204400    
 H  -0.7196000       1.183200       1.181300    
 H   -2.432700       1.314500      -1.252100    
 H   -3.329300      0.9812000       1.673300    
 H   -4.397000       1.111500      0.3024000    
 H   -4.652700     -0.7341000      -1.300900    
 H   -2.023500      -1.053600       2.097200    
 H   -1.542900       4.559600      0.7289000    
 H   -4.552000      -3.186300      -1.601400    
 H   -1.926500      -3.502200       1.785400    
 H   -3.189700      -4.574100     -6.1200000E-02


%chk=000060026-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060026

0 1
O -0.339589 0.880006 -1.681021
O -2.070230 3.541458 1.440694
O -3.856777 3.589230 -0.043157
N -1.096886 1.230841 0.489699
C 4.175571 -0.205259 -0.252340
C 3.757567 1.251415 0.085188
C 3.100745 -1.185165 0.293126
C 1.275697 0.609672 0.151362
C 2.334253 1.596727 -0.409384
C 1.676813 -0.847935 -0.202240
C 5.606519 -0.546995 0.276397
C -0.103970 0.919865 -0.431580
C 6.024859 -2.000070 -0.063391
C 6.680229 0.430801 -0.265692
C -2.456514 1.559069 0.070843
C -3.541182 0.586261 0.641190
C -2.875249 2.984317 0.435296
C -3.296152 -0.889699 0.346761
C -2.774042 -1.338792 -0.893889
C -3.650734 -1.856943 1.322216
C -2.621922 -2.719635 -1.150998
C -3.501827 -3.238649 1.066408
C -2.987274 -3.675969 -0.175552
H 4.195689 -0.304593 -1.361870
H 4.467810 1.969645 -0.364446
H 3.814924 1.392738 1.186549
H 3.126354 -1.159577 1.404383
H 3.338598 -2.222683 -0.005801
H 1.247521 0.709675 1.258177
H 2.293267 1.548546 -1.514907
H 2.075314 2.634800 -0.122113
H 0.944191 -1.557426 0.229311
H 1.622106 -0.958419 -1.302742
H 5.581977 -0.448486 1.384788
H 5.379343 -2.750656 0.425047
H 7.063019 -2.191142 0.266547
H 5.982584 -2.172939 -1.156738
H 6.686441 0.428691 -1.373466
H 7.687811 0.128657 0.075888
H 6.514958 1.468919 0.071429
H -0.854550 1.318017 1.477445
H -2.453687 1.500534 -1.033761
H -3.618601 0.734711 1.736304
H -4.511532 0.904354 0.210993
H -2.461215 -0.618818 -1.658501
H -4.049705 -1.525508 2.289605
H -2.403350 4.454745 1.655820
H -2.212615 -3.046533 -2.113466
H -3.784245 -3.969071 1.833199
H -2.868710 -4.746236 -0.378613


