%chk=000100680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100680

0 1
 O   -5.918200     -0.2779000      2.1600001E-02
 O   -4.684600       1.638600     -0.1660000    
 N   0.9005000      -2.031600      0.2255000    
 N    1.731500      0.6586000      2.3800001E-02
 N   -1.915500       1.094800     -9.6799999E-02
 N   -3.678400     -0.4675000      5.0200000E-02
 N  -0.1387000       2.650800     -0.2174000    
 C    2.248800      -1.742500     -0.2499000    
 C  -5.1700000E-02  -1.027000      0.1145000    
 C    2.621000     -0.2823000     -6.4900003E-02
 C   0.3759000      0.3044000     -3.4000000E-03
 C   -1.432600      -1.261300      0.1404000    
 C    4.067800      8.4200002E-02 -3.0700000E-02
 C   0.5160000      -3.426800      0.3725000    
 C  -0.5838000       1.308400     -0.1045000    
 C   -2.306300     -0.1880000      2.8600000E-02
 C    4.990300     -0.6741000     -0.7460000    
 C    4.485700       1.182300      0.7157000    
 C    6.342100     -0.3317000     -0.7145000    
 C    5.837600       1.524700      0.7471000    
 C    6.765700      0.7677000      3.2000002E-02
 C   -4.742400      0.4211000     -4.3900002E-02
 C   -7.117900      0.5002000     -6.1099999E-02
 C   -8.312900     -0.4249000      2.7100001E-02
 H    2.310900      -1.977700      -1.319400    
 H    2.970700      -2.367900      0.2874000    
 H   -1.827400      -2.268700      0.2367000    
 H  -0.1450000      -3.566500       1.234700    
 H    1.394100      -4.059500      0.5432000    
 H   1.6000001E-02  -3.791100     -0.5315000    
 H    4.687700      -1.527200      -1.345700    
 H    3.780300       1.781200       1.285300    
 H   -3.933800      -1.447500      0.1472000    
 H   0.7589000       2.893100      0.1838000    
 H  -0.8502000       3.368500     -0.2787000    
 H    7.064600     -0.9192000      -1.273400    
 H    6.168000       2.379800       1.329500    
 H    7.818200       1.034600      5.6299999E-02
 H   -7.144200       1.218700      0.7656000    
 H   -7.137300       1.040200      -1.014300    
 H   -9.248500      0.1379000     -3.3100002E-02
 H   -8.290500      -1.161500     -0.7829000    
 H   -8.297300     -0.9859000      0.9673000    


%chk=000100680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100680

0 1
O -5.968314 -0.277968 0.069333
O -4.802820 1.770210 -0.016723
N 0.879976 -2.031623 0.022252
N 1.758490 0.660655 0.039756
N -1.919362 1.171079 0.003290
N -3.724847 -0.372534 0.041227
N -0.146745 2.696111 -0.026196
C 2.279397 -1.747175 -0.370580
C -0.073465 -1.020819 -0.012946
C 2.671247 -0.290915 -0.079076
C 0.401374 0.334581 -0.023117
C -1.472353 -1.251832 0.009310
C 4.106704 0.052564 0.001371
C 0.488111 -3.441516 0.081684
C -0.568299 1.390025 -0.015728
C -2.333199 -0.117194 0.017921
C 5.123669 -0.896548 -0.310153
C 4.507287 1.366643 0.386676
C 6.488858 -0.542909 -0.240043
C 5.867800 1.715267 0.458771
C 6.869689 0.761653 0.146129
C -4.792989 0.525271 0.025963
C -7.243781 0.486380 0.060813
C -8.372693 -0.538698 0.116812
H 2.446354 -1.970383 -1.454116
H 2.937164 -2.432077 0.198300
H -1.888870 -2.262216 -0.002339
H -0.305172 -3.590550 0.835019
H 1.359652 -4.046660 0.385245
H 0.123343 -3.826693 -0.895151
H 4.860750 -1.912812 -0.623538
H 3.723955 2.091004 0.628698
H -4.011476 -1.352865 0.073070
H 0.853907 2.883835 -0.020165
H -0.843487 3.436145 0.001175
H 7.255237 -1.285970 -0.488076
H 6.154385 2.728588 0.762307
H 7.929454 1.033545 0.204130
H -7.252193 1.168942 0.930365
H -7.280363 1.102162 -0.856606
H -9.348950 -0.020350 0.111637
H -8.334572 -1.215632 -0.754033
H -8.307753 -1.147221 1.035229


