%chk=000060212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060212

0 1
 O   -4.878200      -2.201300     -9.3199998E-02
 N   -2.313300      0.1151000      0.1885000    
 C    4.038800     -3.4100000E-02  0.5689000    
 C    2.708700      6.4099997E-02 -0.1820000    
 C    5.261700      0.1233000     -0.3411000    
 C    1.486900     -0.1060000      0.7276000    
 C    6.624700      1.2100000E-02  0.3494000    
 C   0.1550000      7.1699999E-02 -9.7000003E-03
 C    7.807400      0.1209000     -0.6151000    
 C   -1.059100     -3.9799999E-02  0.9154000    
 C    9.136100     -8.6300001E-02  0.1131000    
 C   -3.452900     -1.4600000E-02   1.085700    
 C    10.31760      5.2700002E-02 -0.8338000    
 C   -4.761000      0.1501000      0.3584000    
 C   -5.411800     -0.9518000     -0.1967000    
 C   -5.321500       1.422200      0.2428000    
 C   -6.623100     -0.7815000     -0.8672000    
 C   -6.532700       1.592400     -0.4279000    
 C   -7.183400      0.4907000     -0.9829000    
 H    4.072800      0.7354000       1.349600    
 H    4.094700      -1.004400       1.077600    
 H    2.652500       1.038900     -0.6822000    
 H    2.678300     -0.6986000     -0.9697000    
 H    5.202900       1.096200     -0.8455000    
 H    5.207300     -0.6372000      -1.130500    
 H    1.516100      -1.099800       1.190900    
 H    1.544000      0.6260000       1.542700    
 H    6.703900      0.7943000       1.114300    
 H    6.674300     -0.9498000      0.8747000    
 H   8.4100001E-02 -0.6835000     -0.8028000    
 H   0.1450000       1.051900     -0.5032000    
 H    7.704700     -0.6288000      -1.408900    
 H    7.795500       1.106000      -1.096900    
 H   -1.033200      -1.015900       1.415600    
 H  -0.9823000      0.7321000       1.690800    
 H    9.157900      -1.081100      0.5731000    
 H    9.236000      0.6476000      0.9213000    
 H   -2.368100     -0.5952000     -0.5414000    
 H   -3.395800      0.7433000       1.878400    
 H   -3.437000     -0.9839000       1.600500    
 H    10.34350       1.049700      -1.285200    
 H    11.25680     -9.9799998E-02 -0.2929000    
 H    10.26460     -0.6877000      -1.638300    
 H   -4.824600       2.289900      0.6687000    
 H   -7.141000      -1.630900      -1.304600    
 H   -6.968800       2.582900     -0.5185000    
 H   -8.126300      0.6234000      -1.505200    
 H   -5.467200      -2.835700     -0.5367000    


%chk=000060212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060212

0 1
O -6.026173 -1.848485 1.251148
N -2.306187 -0.176158 0.102924
C 4.100298 -0.199983 0.480482
C 2.748175 0.050711 -0.224681
C 5.322584 0.190715 -0.380501
C 1.528191 -0.362606 0.628897
C 6.673618 -0.036593 0.334879
C 0.176879 -0.068043 -0.059887
C 7.897461 0.344178 -0.528391
C -1.035274 -0.525253 0.773981
C 9.247407 0.126761 0.193044
C -3.519762 -0.618106 0.824307
C 10.465305 0.505263 -0.677416
C -4.793235 -0.059676 0.202699
C -6.041872 -0.696998 0.431614
C -4.785313 1.103235 -0.602364
C -7.239853 -0.196942 -0.128751
C -5.974741 1.619000 -1.168181
C -7.204519 0.965219 -0.931589
H 4.126206 0.369581 1.433131
H 4.175916 -1.272365 0.758263
H 2.665330 1.126562 -0.485301
H 2.727662 -0.504090 -1.186123
H 5.238646 1.258588 -0.672598
H 5.306175 -0.391324 -1.325848
H 1.596956 -1.445623 0.863637
H 1.565782 0.169767 1.602259
H 6.692106 0.552138 1.276099
H 6.754691 -1.102677 0.634604
H 0.153709 -0.573539 -1.049301
H 0.079834 1.017654 -0.256577
H 7.885139 -0.249878 -1.466401
H 7.814729 1.408268 -0.834523
H -0.942174 -1.622573 0.982790
H -1.018324 -0.014997 1.758449
H 9.327752 -0.935697 0.501811
H 9.259741 0.723242 1.128226
H -2.315093 -0.504977 -0.873890
H -3.436023 -0.254773 1.869809
H -3.611922 -1.726704 0.901752
H 10.423440 1.570071 -0.975559
H 11.416755 0.342617 -0.138110
H 10.493735 -0.100094 -1.603264
H -3.820160 1.592939 -0.767904
H -8.193290 -0.708482 0.061064
H -5.941197 2.522450 -1.786431
H -8.132983 1.352949 -1.365100
H -6.935625 -2.230068 1.328721


