%chk=000001270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001270

0 1
 O  -2.5200000E-02   2.531300      -1.957500    
 O   -2.582400       1.816800      -1.865100    
 O   -3.086900     -0.1643000       2.385900    
 O   -5.221700     -0.5931000       1.777300    
 O    5.355000      -2.487300       1.035000    
 O    5.434500      -2.153400      -1.133300    
 N   -2.265500      0.3681000     -7.9099998E-02
 N  -0.8608000       3.413700      0.6621000    
 N    5.019300      -1.845800      1.0200000E-02
 C   -3.923700      -1.272800     -0.8956000    
 C   -3.628900     -8.2000002E-02  2.8899999E-02
 C   -2.932100      -2.458300     -0.8783000    
 C  -1.2000000E-02   2.231900      0.4554000    
 C  -0.3637000       1.623900     -0.9189000    
 C    1.481200       2.614800      0.5676000    
 C   -1.849800       1.291800      -1.029000    
 C   -3.274300      -3.564100      -1.874100    
 C   -2.873400      -3.046800      0.5365000    
 C    2.416900       1.437600      0.4203000    
 C   -4.066800     -0.3239000       1.464800    
 C    2.804800      0.7103000       1.545700    
 C    2.891600       1.077200     -0.8407000    
 C    3.667400     -0.3774000       1.409900    
 C    3.754200     -1.0400000E-02 -0.9766000    
 C    4.142100     -0.7377000      0.1487000    
 H   -4.935700      -1.649500     -0.6959000    
 H   -3.947200     -0.8932000      -1.926700    
 H   -4.259500      0.7546000     -0.3026000    
 H   -1.931800      -2.089900      -1.137800    
 H  -0.2421000       1.514000       1.251700    
 H   0.1792000      0.6898000      -1.094300    
 H    1.743000       3.379600     -0.1760000    
 H    1.666100       3.089200       1.541400    
 H   -1.579800     -4.7699999E-02  0.5439000    
 H   -2.525600      -4.362800      -1.849000    
 H   -3.305700      -3.166400      -2.893800    
 H   -4.252000      -4.005700      -1.653900    
 H   -3.872600      -3.270900      0.9243000    
 H   -2.300700      -3.981400      0.5400000    
 H   -2.361800      -2.376200       1.230300    
 H   -1.837400       3.132600      0.7359000    
 H  -0.6255000       3.848800       1.553500    
 H  -0.4562000       3.380900      -1.761700    
 H    2.439200      0.9802000       2.532900    
 H    2.607000       1.639400      -1.725600    
 H    3.947500     -0.9214000       2.308300    
 H    4.105500     -0.2611000      -1.974300    
 H   -3.415200     -0.3066000       3.299200    


%chk=000001270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001270

0 1
O 0.354289 -0.963772 -1.452227
O -1.421054 0.416180 1.458009
O -2.219743 -4.083471 -0.075253
O -4.131453 -4.051432 1.243544
O 5.823554 2.318769 3.978452
O 6.494763 0.292723 3.173828
N -1.694763 -1.522259 0.181976
N -0.542010 1.512482 -1.841578
N 5.748515 1.346239 3.131618
C -4.178593 -1.096264 0.475442
C -2.920677 -1.942355 0.867630
C -4.436450 -0.905867 -1.040503
C 0.376889 1.364457 -0.675563
C 0.276831 -0.131851 -0.251440
C 1.813872 1.739187 -1.136434
C -1.029427 -0.379947 0.542679
C -5.584714 0.114556 -1.235213
C -4.756517 -2.226879 -1.781370
C 2.847538 1.641676 -0.028982
C -3.179946 -3.437632 0.719483
C 2.972287 2.674913 0.938372
C 3.696693 0.507100 0.069657
C 3.916559 2.587851 1.978412
C 4.649592 0.399286 1.101261
C 4.745134 1.446010 2.043497
H -5.058426 -1.567800 0.954643
H -4.037783 -0.103841 0.942033
H -2.776898 -1.766241 1.954455
H -3.515824 -0.475465 -1.490164
H 0.083135 1.987112 0.192573
H 1.124746 -0.402431 0.401950
H 2.089273 1.073794 -1.975841
H 1.785583 2.777363 -1.523854
H -1.270526 -2.105096 -0.549406
H -5.759307 0.315516 -2.308474
H -5.359440 1.076615 -0.737837
H -6.529754 -0.271921 -0.807796
H -5.618153 -2.740973 -1.314808
H -5.014135 -2.024811 -2.837684
H -3.900103 -2.925284 -1.781792
H -1.527499 1.618942 -1.572512
H -0.259959 2.236311 -2.510960
H -0.081853 -0.361734 -2.145068
H 2.325204 3.557219 0.872437
H 3.608646 -0.294189 -0.672760
H 4.025670 3.374802 2.729210
H 5.311883 -0.465768 1.189664
H -2.427148 -5.055418 -0.123409


