%chk=000134906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134906

0 1
 O   0.4831000      0.1739000       2.072000    
 O    1.974300      -2.129900      -1.151800    
 O    1.006700      -3.973200     -0.2710000    
 N   0.2372000     -0.4582000     -0.1456000    
 N   -4.215600     -0.6926000       1.359700    
 N  -0.2095000       2.742200      0.8684000    
 C   -1.443200      -2.230600     -0.4515000    
 C  -7.1599998E-02  -1.843100      0.1190000    
 C   -2.568500      -1.394300      8.9199997E-02
 C   -3.040100     -0.1909000     -0.4689000    
 C   0.8205000       1.842600      0.3478000    
 C   -4.085100      0.2372000      0.3528000    
 C   -3.291800      -1.690800       1.203400    
 C    2.204800       2.295600      0.8344000    
 C   0.4928000      0.4481000      0.8730000    
 C    1.005200      -2.758900     -0.4447000    
 C   -2.694700      0.5905000      -1.589400    
 C    3.322100       1.416300      0.3240000    
 C   -4.804700       1.412400      0.1090000    
 C   -3.405900       1.768500      -1.845700    
 C   -4.444200       2.171200      -1.008200    
 C    3.712300      0.3149000       1.068300    
 C    3.935000       1.727800     -0.8789000    
 C    4.743800     -0.4972000      0.5970000    
 C    4.966300      0.9155000      -1.350200    
 C    5.370700     -0.1969000     -0.6121000    
 H   -1.426500      -2.151500      -1.547000    
 H   -1.647400      -3.288200     -0.2369000    
 H  -6.6799998E-02  -2.002200       1.204200    
 H   0.7865000       1.863300     -0.7475000    
 H   0.3161000     -0.1653000      -1.114800    
 H   -3.244300      -2.511900       1.904900    
 H    2.242900       2.315800       1.932800    
 H    2.392700       3.331200      0.5189000    
 H   -4.895200     -0.6442000       2.106200    
 H   -1.890100      0.2918000      -2.255100    
 H   -5.613100       1.726800      0.7605000    
 H   -3.143700       2.375200      -2.708400    
 H  -2.3399999E-02   3.693500      0.5529000    
 H   -1.115600       2.486400      0.4771000    
 H   -4.983000       3.089900      -1.225800    
 H    3.240500      7.4400000E-02   2.016000    
 H    3.625000       2.590400      -1.461600    
 H    5.059500      -1.362600       1.172200    
 H    5.454100       1.148600      -2.292200    
 H    2.648900      -2.756900      -1.489300    
 H    6.173600     -0.8294000     -0.9792000    


%chk=000134906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134906

0 1
O 0.472055 -0.120392 1.692815
O 1.116826 -2.628841 -2.233711
O 0.781635 -4.356069 -0.712383
N 0.245645 -0.751569 -0.536698
N -3.705230 -0.243574 1.842567
N -0.368273 2.412442 0.042169
C -1.691248 -2.390355 -0.473211
C -0.152283 -2.122678 -0.228406
C -2.562971 -1.378471 0.220416
C -3.123837 -0.171494 -0.363396
C 0.845873 1.591518 -0.069628
C -3.834304 0.524026 0.680892
C -2.939140 -1.380786 1.564083
C 1.983364 2.228490 0.778251
C 0.515524 0.173397 0.461181
C 0.634956 -3.156403 -1.023040
C -3.092555 0.399252 -1.664777
C 3.336013 1.566988 0.560011
C -4.498357 1.750426 0.460251
C -3.751405 1.624440 -1.891746
C -4.446076 2.294112 -0.839534
C 3.742807 0.464324 1.356883
C 4.209411 2.020280 -0.463190
C 4.988176 -0.165913 1.135589
C 5.455733 1.392265 -0.687698
C 5.849597 0.294665 0.112503
H -1.882798 -2.373940 -1.563236
H -1.901265 -3.417304 -0.121730
H 0.054881 -2.277708 0.845501
H 1.221898 1.487896 -1.121373
H 0.386012 -0.495743 -1.515877
H -2.698715 -2.098661 2.346116
H 1.666380 2.160084 1.833385
H 2.039930 3.301713 0.507976
H -4.063262 0.010948 2.760235
H -2.570121 -0.106594 -2.485167
H -5.030918 2.269140 1.265074
H -3.737176 2.072598 -2.891506
H -0.237578 3.408365 -0.145992
H -1.227273 2.020477 -0.352823
H -4.948652 3.245284 -1.046799
H 3.072279 0.102501 2.144878
H 3.914717 2.879240 -1.080344
H 5.287476 -1.013437 1.763075
H 6.119899 1.760855 -1.478229
H 1.595460 -3.339116 -2.740005
H 6.817492 -0.191477 -0.055452


