%chk=000153378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153378

0 1
 O   -3.505400      0.8660000      0.5757000    
 N    1.979100      0.1209000     -0.1388000    
 N    4.015600      -1.297200      0.1216000    
 N    4.175500       1.029300     -0.2402000    
 N    2.349400       2.423100     -0.5296000    
 N    6.087000     -0.2823000      0.1235000    
 C    2.547900      -1.240100     -1.3400000E-02
 C    2.010400      -1.961400       1.237600    
 C    2.229500      -2.075600      -1.265500    
 C   0.5937000      0.3088000      4.1400000E-02
 C    2.876000       1.173500     -0.2907000    
 C  -0.2725000      0.3685000      -1.063300    
 C   4.9199998E-02  0.4415000       1.330000    
 C    4.719500     -0.2142000      3.4000000E-03
 C   -2.167900      0.6853000      0.4012000    
 C   -1.643100      0.5554000     -0.8848000    
 C   -1.321600      0.6284000       1.508700    
 C   -5.698700     -5.4000001E-02  0.2610000    
 C   -4.371600      0.2891000     -0.4005000    
 C   -6.671900     -0.6923000     -0.7260000    
 C   -7.980200      -1.072700     -5.1399998E-02
 H    2.498000      -2.936900       1.361000    
 H    2.221800      -1.389100       2.147900    
 H   0.9347000      -2.156500       1.182300    
 H    2.693000      -3.067700      -1.212500    
 H    1.151700      -2.220200      -1.393800    
 H    2.608700      -1.583700      -2.169000    
 H   0.1234000      0.2765000      -2.072200    
 H   0.6927000      0.4220000       2.206000    
 H   -2.262500      0.6217000      -1.774400    
 H   -1.723900      0.7332000       2.512600    
 H   -6.136500      0.8544000      0.6934000    
 H   -5.517400     -0.7303000       1.105900    
 H   -3.951400     -0.6371000     -0.8137000    
 H   -4.529300       1.011600      -1.209600    
 H   -6.222800      -1.590400      -1.165700    
 H   -6.878100      3.0000000E-03  -1.547900    
 H    2.960900       3.222900     -0.6550000    
 H    1.353900       2.599300     -0.5945000    
 H    6.555700      -1.163600      0.3029000    
 H    6.664500      0.5468000      3.6100000E-02
 H   -7.811100      -1.794900      0.7538000    
 H   -8.472500     -0.1924000      0.3739000    
 H   -8.662800      -1.526500     -0.7767000    


%chk=000153378-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153378

0 1
O -3.535356 0.104699 0.822389
N 2.082104 0.026194 -0.020732
N 4.293078 -1.021834 0.404659
N 4.098731 1.249043 -0.514506
N 2.025257 2.277861 -0.780369
N 6.150295 0.393291 0.189311
C 2.891401 -1.290324 0.048690
C 2.286458 -2.203813 1.131691
C 2.828592 -1.974917 -1.346587
C 0.650358 0.039139 0.154986
C 2.763284 1.160418 -0.442706
C -0.223138 -0.231738 -0.927269
C 0.091187 0.334018 1.428898
C 4.796366 0.147635 0.028040
C -2.167263 0.066722 0.526920
C -1.625683 -0.221701 -0.751955
C -1.301171 0.347476 1.616179
C -5.896269 -0.067730 0.317214
C -4.488356 -0.174835 -0.271065
C -6.989329 -0.321935 -0.747495
C -8.413867 -0.215641 -0.162269
H 2.911023 -3.110263 1.191479
H 2.317177 -1.704550 2.114717
H 1.247593 -2.495422 0.899223
H 3.454724 -2.883808 -1.329202
H 1.794018 -2.264855 -1.607595
H 3.226695 -1.296441 -2.122350
H 0.199568 -0.450213 -1.913890
H 0.765235 0.549668 2.264207
H -2.274693 -0.436545 -1.605801
H -1.743189 0.569911 2.592102
H -6.026406 0.939381 0.757496
H -5.997983 -0.796189 1.144158
H -4.301231 -1.192268 -0.674258
H -4.341539 0.563687 -1.087279
H -6.847100 -1.327970 -1.192399
H -6.875522 0.406551 -1.576176
H 2.548522 3.119947 -1.004511
H 1.009401 2.266412 -0.798930
H 6.743288 -0.337476 0.570718
H 6.505294 1.323511 -0.008659
H -8.565468 -0.953191 0.647791
H -8.594070 0.789972 0.261485
H -9.181418 -0.399779 -0.935650


