%chk=000083503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083503

0 1
 O   -1.789500      -2.206700     -0.3830000    
 N   0.3904000      -1.402100     -0.2976000    
 N    4.899700      0.5361000     -1.9600000E-02
 C    1.271000     -0.2880000     -0.1191000    
 C   0.7232000      0.9824000      0.1042000    
 C   -1.552000      0.1099000     -1.9300001E-02
 C   -1.002200      -1.266900     -0.2517000    
 C   0.9650000      -2.725700     -0.5277000    
 C    2.669000     -0.4202000     -0.1573000    
 C  -0.7241000       1.150700      0.1444000    
 C    3.497700      0.6899000      2.3600001E-02
 C    1.559900       2.093300      0.2850000    
 C    2.944100       1.945800      0.2449000    
 C   -3.007900      0.3413000      1.3200000E-02
 C    1.198500      -3.463200      0.7747000    
 C   -3.693800      0.6361000      -1.164400    
 C   -3.697500      0.2630000       1.222500    
 C    5.742600       1.621800     -0.4785000    
 C    5.514800     -0.7046000      0.4074000    
 C   -5.071400      0.8527000      -1.132700    
 C   -5.075100      0.4797000       1.254200    
 C   -5.762100      0.7746000      7.6600000E-02
 H   0.2447000      -3.311000      -1.113800    
 H    1.857700      -2.685500      -1.157300    
 H    3.131400      -1.386000     -0.3231000    
 H   -1.108400       2.154000      0.3080000    
 H    1.141400       3.081800      0.4607000    
 H    3.559300       2.827100      0.4012000    
 H    1.920000      -2.938300       1.408700    
 H   0.2690000      -3.565500       1.344800    
 H    1.587500      -4.467100      0.5783000    
 H   -3.169400      0.6992000      -2.114800    
 H   -3.176300      3.2699998E-02   2.148500    
 H    5.316700       2.116700      -1.358600    
 H    5.888100       2.362600      0.3148000    
 H    6.732700       1.255300     -0.7724000    
 H    6.573400     -0.5569000      0.6491000    
 H    5.038600      -1.099800       1.312000    
 H    5.461400      -1.457900     -0.3856000    
 H   -5.606500       1.081900      -2.049600    
 H   -5.613100      0.4185000       2.195700    
 H   -6.834700      0.9431000      0.1013000    


%chk=000083503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083503

0 1
O -1.722192 -2.250853 -0.637309
N 0.409209 -1.318114 -0.432198
N 4.951552 0.514830 0.091856
C 1.286873 -0.256348 -0.146755
C 0.713985 1.027571 0.152915
C -1.584852 0.115324 -0.059161
C -1.023962 -1.210254 -0.392125
C 0.938579 -2.666306 -0.769752
C 2.695589 -0.418546 -0.157898
C -0.710717 1.170076 0.180816
C 3.564520 0.680348 0.105258
C 1.597016 2.115369 0.410468
C 2.983526 1.966448 0.389736
C -3.059565 0.307798 0.020404
C 1.282671 -3.496042 0.485020
C -3.966572 -0.419165 -0.802555
C -3.601213 1.271495 0.920482
C 5.836757 1.653346 0.375582
C 5.534124 -0.801337 -0.197684
C -5.354288 -0.169145 -0.741864
C -4.988158 1.518942 0.980924
C -5.875090 0.801748 0.144468
H 0.140822 -3.176444 -1.332550
H 1.812031 -2.546060 -1.434444
H 3.124172 -1.399770 -0.359436
H -1.117893 2.167578 0.384823
H 1.161962 3.097507 0.631802
H 3.620252 2.830264 0.593909
H 2.031770 -2.992319 1.121293
H 0.371982 -3.662983 1.084693
H 1.683575 -4.482621 0.188560
H -3.575206 -1.185830 -1.474321
H -2.933419 1.807952 1.604790
H 5.704656 2.471956 -0.360170
H 5.662003 2.069763 1.388080
H 6.885202 1.320664 0.324332
H 6.632677 -0.729293 -0.178686
H 5.229839 -1.561063 0.551362
H 5.235130 -1.170260 -1.200024
H -6.031782 -0.738736 -1.388353
H -5.377775 2.258935 1.689542
H -6.953992 0.988377 0.191868


