%chk=000145954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145954

0 1
 O    3.856700     -0.9263000       1.568600    
 N   -2.497200     -0.1306000      0.4955000    
 C   -1.059800      6.6200003E-02  0.6777000    
 C  -0.4461000      -1.153700       1.367200    
 C  -0.3760000      0.3025000     -0.6762000    
 C    1.033900     -0.9084000       1.662300    
 C    1.131000      0.2675000     -0.5918000    
 C    1.793500     -0.3402000      0.4902000    
 C   -2.750200      -1.289100     -0.3604000    
 C   -3.109200       1.069400     -7.4400000E-02
 C    3.196300     -0.3684000      0.5106000    
 C    1.884200      0.8016000      -1.648600    
 C   -4.252100      -1.511900     -0.5198000    
 C   -2.926600       2.256100      0.8683000    
 C    3.933500      0.1753000     -0.5408000    
 C    3.277700      0.7579000      -1.621000    
 C   -4.542600      -2.725500      -1.389300    
 C   -3.573600       3.513300      0.3080000    
 C    5.426300      0.1443000     -0.5261000    
 H  -0.8492000      0.8989000       1.355800    
 H  -0.4885000      -2.049100      0.7366000    
 H  -0.9690000      -1.385700       2.303100    
 H  -0.6545000       1.285700      -1.072800    
 H  -0.6112000     -0.4464000      -1.435000    
 H    1.480700      -1.858500       1.979700    
 H    1.122600     -0.2046000       2.499500    
 H   -2.352200      -1.193400      -1.373500    
 H   -2.357700      -2.212000      7.4600004E-02
 H   -2.766500       1.303200      -1.088600    
 H   -4.195300      0.9572000     -0.1381000    
 H    1.385700       1.255700      -2.501700    
 H   -4.726900      -1.645800      0.4594000    
 H   -4.750000     -0.6788000      -1.023300    
 H   -3.356300       2.034900       1.852800    
 H   -1.875700       2.518000       1.016200    
 H    3.835200       1.183300      -2.451200    
 H   -4.121400      -2.602800      -2.392400    
 H   -4.121100      -3.634500     -0.9483000    
 H   -5.623100      -2.869800      -1.491200    
 H   -3.133500       3.785500     -0.6568000    
 H   -4.650100       3.372200      0.1675000    
 H   -3.430200       4.353200      0.9954000    
 H    5.816800      0.7046000      0.3300000    
 H    5.792100     -0.8873000     -0.4915000    
 H    5.848300      0.6025000      -1.427700    
 H    4.818300     -0.8725000       1.459900    


%chk=000145954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145954

0 1
O 3.829773 -0.734367 1.796862
N -2.423981 0.012453 0.072195
C -0.948531 0.080539 0.254524
C -0.403770 -1.055698 1.148650
C -0.133438 0.105398 -1.071801
C 1.059945 -0.777072 1.554744
C 1.375809 0.113993 -0.844471
C 1.928683 -0.322352 0.389318
C -2.942708 -1.126480 -0.722014
C -3.051802 1.320234 -0.240233
C 3.339206 -0.303822 0.540909
C 2.241834 0.549966 -1.879323
C -4.323507 -1.611995 -0.223725
C -3.335382 2.171145 1.019677
C 4.221879 0.119106 -0.487689
C 3.640186 0.547717 -1.704551
C -4.881945 -2.771632 -1.076932
C -3.945929 3.547069 0.675113
C 5.726007 0.115989 -0.273437
H -0.751866 1.031537 0.791238
H -0.458495 -2.021392 0.606685
H -1.040808 -1.144170 2.047390
H -0.418393 0.981914 -1.685933
H -0.404998 -0.792807 -1.664834
H 1.512208 -1.670583 2.023233
H 1.084239 0.005597 2.341446
H -3.018193 -0.887169 -1.813352
H -2.231102 -1.969390 -0.637284
H -2.432146 1.921754 -0.950958
H -4.012110 1.132455 -0.757974
H 1.812460 0.892610 -2.828372
H -4.221375 -1.920580 0.833913
H -5.039691 -0.766352 -0.233920
H -4.014821 1.598838 1.679422
H -2.395421 2.312624 1.588937
H 4.294889 0.886192 -2.516580
H -5.003197 -2.467689 -2.134378
H -4.203647 -3.645967 -1.056222
H -5.868908 -3.103422 -0.706453
H -3.264715 4.138058 0.033380
H -4.903551 3.434652 0.131577
H -4.145102 4.137229 1.588023
H 6.035442 0.785068 0.555798
H 6.119937 -0.898168 -0.055163
H 6.245481 0.470094 -1.179220
H 4.818552 -0.707424 1.810185


