%chk=000130934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130934

0 1
 O   -3.106000       1.996700     -0.3991000    
 O   -1.294800       2.108000       1.868700    
 O    1.757800      0.3299000      0.7530000    
 O   -1.267400     -0.9246000       2.227100    
 N   0.3898000      8.3899997E-02  0.9881000    
 N   -2.781900      -4.722400     -0.9251000    
 C   -1.910400       2.799700     -0.3672000    
 C  -0.8206000       2.160800      0.5176000    
 C  -0.4773000      0.7453000      3.9200000E-02
 C   -1.736400     -3.1199999E-02 -0.2620000    
 C   -2.952300      0.6367000     -0.4658000    
 C   -1.432500       3.029600      -1.811300    
 C   -2.341900       4.157400      0.2139000    
 C   -1.706900      -1.428500     -0.4029000    
 C   -4.118700     -8.3700001E-02 -0.7455000    
 C  -7.2999999E-02 -0.7055000       2.016100    
 C   -2.870200      -2.143600     -0.6921000    
 C   -4.077300      -1.471600     -0.8568000    
 C    2.264100     -0.6685000     -0.1279000    
 C   0.9772000      -1.304600       2.919000    
 C    3.720300     -0.4076000     -0.3789000    
 C   -2.821600      -3.565800     -0.8206000    
 C    4.101100      0.4030000      -1.442400    
 C    4.675800     -0.9789000      0.4542000    
 C    5.454800      0.6456000      -1.675800    
 C    6.029400     -0.7362000      0.2207000    
 C    6.419000      7.5900003E-02 -0.8442000    
 H   8.3300002E-02   2.781400      0.5300000    
 H   6.3900001E-02  0.8285000     -0.9113000    
 H   -2.211300       3.527200      -2.401300    
 H  -0.5305000       3.649800      -1.838700    
 H   -1.222400       2.090600      -2.332800    
 H   -1.493800       4.844300      0.3031000    
 H   -3.102300       4.628600     -0.4202000    
 H   -2.805400       4.042900       1.200200    
 H  -0.7653000      -1.967900     -0.3138000    
 H   -2.131800       1.614700       1.883600    
 H   -5.063400      0.4349000     -0.8878000    
 H   -4.993300      -2.013200      -1.080200    
 H    1.720600     -0.6599000      -1.080700    
 H    2.134700      -1.667900      0.3042000    
 H   0.5242000      -1.553600       3.883200    
 H    1.370500      -2.218000       2.466700    
 H    1.792300     -0.5997000       3.101100    
 H    3.358300      0.8537000      -2.094800    
 H    4.383200      -1.611100       1.288100    
 H    5.758100       1.278600      -2.504600    
 H    6.780100      -1.179200      0.8686000    
 H    7.473000      0.2650000      -1.025800    


%chk=000130934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130934

0 1
O -2.900933 1.991834 -1.036407
O -2.344156 1.872927 1.838234
O 1.763155 0.268124 0.832378
O -1.025511 -0.029485 3.091012
N 0.368412 0.237312 1.265955
N -2.359398 -4.834861 -0.821499
C -1.968333 2.934639 -0.294752
C -1.296891 2.181826 0.893849
C -0.575030 0.909538 0.334356
C -1.628390 -0.006249 -0.281795
C -2.726973 0.617569 -0.947247
C -0.959806 3.468331 -1.331943
C -2.888779 4.051564 0.215695
C -1.560630 -1.408441 -0.250703
C -3.719653 -0.172435 -1.580014
C 0.128752 -0.182444 2.563368
C -2.549454 -2.208591 -0.884252
C -3.632117 -1.571687 -1.555845
C 2.062320 -0.872622 -0.132401
C 1.280896 -0.812005 3.320605
C 3.495081 -0.693139 -0.557824
C -2.450481 -3.641179 -0.848891
C 3.811304 0.062260 -1.715373
C 4.546811 -1.259063 0.206789
C 5.156056 0.251202 -2.102127
C 5.892391 -1.071445 -0.176971
C 6.199077 -0.315373 -1.332722
H -0.523076 2.851853 1.332190
H 0.106125 1.272722 -0.458265
H -1.497471 4.049737 -2.099501
H -0.222922 4.134463 -0.846825
H -0.414364 2.661553 -1.851985
H -2.288743 4.868861 0.655751
H -3.477515 4.458521 -0.624085
H -3.564758 3.653574 0.985922
H -0.741223 -1.897806 0.285221
H -2.028072 1.114873 2.433642
H -4.551321 0.336031 -2.075742
H -4.399227 -2.179924 -2.044549
H 1.360270 -0.798370 -0.983391
H 1.896699 -1.826378 0.402336
H 0.903803 -1.138323 4.300676
H 1.702681 -1.678146 2.781883
H 2.098559 -0.083667 3.458102
H 3.003316 0.500639 -2.313824
H 4.310086 -1.846017 1.102697
H 5.391187 0.833474 -2.999581
H 6.698268 -1.514369 0.418043
H 7.242778 -0.171909 -1.633389


