%chk=000154061.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154061

0 1
 O   -2.452000      -2.171000      0.8795000    
 O   -4.458500     -0.6724000     -0.3331000    
 O    3.549300      -1.542000      -1.581900    
 N  -0.8721000     -1.7200001E-02  0.2138000    
 N    4.015800      0.5272000     -0.6584000    
 N    5.528700       1.513900      0.9337000    
 N    4.520600     -0.4836000       1.377800    
 C   0.9774000      -1.501400     -0.2151000    
 C  -0.3590000      -1.261100      0.1673000    
 C    1.775400     -0.3997000     -0.5521000    
 C  -6.8800002E-02   1.019000     -0.1197000    
 C   -1.151300      -2.355700      0.5020000    
 C    1.249300      0.8833000     -0.5057000    
 C    1.480000      -2.813100     -0.2526000    
 C  -0.6924000       2.318900     -4.5000002E-02
 C  -0.6520000      -3.659900      0.4649000    
 C   0.6652000      -3.889300      8.7099999E-02
 C    3.170200     -0.5343000     -0.9614000    
 C   -3.449100      -2.803000      8.2900003E-02
 C   7.2899997E-02   3.446800      0.2587000    
 C   -2.063000       2.452700     -0.2762000    
 C   -4.724700      -1.985000      0.1460000    
 C  -0.5296000       4.702800      0.3308000    
 C   -2.665500       3.708600     -0.2044000    
 C   -1.898800       4.833600      9.9200003E-02
 C    4.659700      0.5475000      0.4793000    
 C   -5.627600      0.1345000     -0.3174000    
 H    1.844500       1.738700     -0.8069000    
 H    2.504800      -3.070400     -0.4852000    
 H   -1.277500      -4.504400      0.7409000    
 H    1.059700      -4.900900      7.0799999E-02
 H   -3.115500      -2.866200     -0.9609000    
 H   -3.632300      -3.813200      0.4640000    
 H    1.136500       3.388400      0.4741000    
 H   -2.686400       1.599000     -0.5282000    
 H   -5.069500      -1.917000       1.184300    
 H   -5.502600      -2.457400     -0.4640000    
 H   6.5700002E-02   5.578300      0.5733000    
 H   -3.731200       3.811100     -0.3873000    
 H   -2.368200       5.811400      0.1561000    
 H   -6.399100     -0.2944000     -0.9640000    
 H   -5.367300       1.126300     -0.6968000    
 H   -6.006800      0.2403000      0.7036000    
 H    5.735700       2.335500      0.3762000    
 H    5.982600       1.436100       1.837200    
 H    3.930500      -1.289200       1.204100    
 H    5.018100     -0.4721000       2.261800    


%chk=000154061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154061

0 1
O -2.812342 -1.761002 0.114980
O -5.446054 -1.736860 -1.412130
O 3.900197 -1.765251 0.363834
N -0.940686 0.154757 0.260991
N 4.085358 0.602527 0.353116
N 6.068174 1.803068 0.372626
N 6.195700 -0.562381 0.391767
C 0.922821 -1.506417 0.258028
C -0.488287 -1.141202 0.223609
C 1.862630 -0.401650 0.317517
C -0.042387 1.168620 0.325109
C -1.488368 -2.193290 0.150446
C 1.363703 0.908194 0.346911
C 1.283305 -2.892788 0.225906
C -0.597556 2.554343 0.362424
C -1.095094 -3.539025 0.121826
C 0.290217 -3.871236 0.160490
C 3.361409 -0.584365 0.346320
C -3.859640 -2.794543 0.065340
C 0.220761 3.697989 0.571549
C -1.996531 2.744662 0.185524
C -5.199439 -2.080125 -0.010913
C -0.342256 4.992364 0.599417
C -2.556977 4.036947 0.211509
C -1.733113 5.169917 0.418018
C 5.437541 0.577796 0.373075
C -6.607960 -0.867776 -1.574015
H 2.097367 1.714505 0.377112
H 2.340557 -3.156201 0.255703
H -1.834765 -4.342446 0.066168
H 0.578041 -4.928548 0.136479
H -3.733332 -3.435053 -0.830175
H -3.800761 -3.422578 0.978511
H 1.299543 3.587668 0.724003
H -2.612672 1.853531 0.030165
H -5.168323 -1.169648 0.625392
H -6.006213 -2.750758 0.363831
H 0.303760 5.862161 0.765421
H -3.636335 4.164796 0.069638
H -2.168511 6.175491 0.438563
H -7.540654 -1.353393 -1.211706
H -6.696398 -0.670839 -2.653807
H -6.473598 0.094091 -1.034937
H 5.469104 2.624758 0.351285
H 7.079165 1.907489 0.386422
H 5.626907 -1.435102 0.390467
H 7.213792 -0.553194 0.401291


