%chk=000167448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167448

0 1
 O    3.056200       3.274900       1.330500    
 N   -2.044600     -0.2725000     -0.3438000    
 C   0.7817000     -0.9938000      0.3465000    
 C   4.9999999E-03  -1.597900     -0.8793000    
 C  -0.3022000     -0.5820000       1.394600    
 C   -1.074000     -0.6168000      -1.390000    
 C    1.724100      -2.064300      0.9739000    
 C  -0.6221000      -2.978000     -0.5754000    
 C   -4.161700      0.8730000      0.1637000    
 C   -1.384500      0.3398000      0.8142000    
 C   -3.081800      0.6123000     -0.8727000    
 C    1.072500      -3.421500       1.228900    
 C   0.4023000      -3.961400     -2.5200000E-02
 C   -5.304300       1.736600     -0.2221000    
 C   -4.263800       2.237900      0.7360000    
 C    1.706900      0.1847000     -7.2800003E-02
 C    1.966900       1.211100      0.8289000    
 C    2.267100      0.2018000      -1.345600    
 C    2.797000       2.267400      0.4531000    
 C    3.097100       1.257900      -1.721400    
 C    3.362200       2.290600     -0.8221000    
 H   0.6827000      -1.805400      -1.711900    
 H   0.1331000     -0.1261000       2.289300    
 H  -0.8127000      -1.474200       1.777900    
 H  -0.6021000      0.2892000      -1.790500    
 H   -1.597700      -1.090600      -2.230500    
 H    2.145900      -1.690500       1.916400    
 H    2.582200      -2.232200      0.3076000    
 H   -1.051200      -3.392400      -1.496400    
 H   -1.453200      -2.891500      0.1337000    
 H   -4.399100      1.3000000E-02  0.7779000    
 H   -2.102500      0.5189000       1.622400    
 H  -0.9508000       1.312300      0.5500000    
 H   -2.654900       1.552400      -1.246800    
 H   -3.569700      0.1200000      -1.723500    
 H   0.3422000      -3.348700       2.042200    
 H    1.837500      -4.131200       1.565500    
 H    1.161400      -4.168000     -0.7896000    
 H  -8.8200003E-02  -4.914900      0.2016000    
 H   -6.281600       1.495900      0.1783000    
 H   -5.323100       2.168000      -1.215300    
 H   -3.590900       3.011700      0.3879000    
 H   -4.540500       2.328000       1.779500    
 H    1.569300       1.221100       1.836600    
 H    2.133200     -0.5863000      -2.074500    
 H    3.544800       1.272400      -2.710900    
 H    4.012200       3.106600      -1.126400    
 H    3.647300       3.919300      0.9047000    


%chk=000167448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167448

0 1
O 2.796992 3.535004 1.059298
N -2.026304 -0.199924 -0.337697
C 0.792361 -0.982226 0.328767
C -0.002279 -1.563920 -0.903998
C -0.260496 -0.530545 1.385636
C -1.049460 -0.539887 -1.403461
C 1.724795 -2.090363 0.939464
C -0.669794 -2.932302 -0.604015
C -4.300362 0.754732 0.129871
C -1.337590 0.420209 0.821741
C -3.146306 0.620816 -0.856194
C 1.021282 -3.436017 1.225862
C 0.326417 -3.971370 -0.045842
C -5.393328 1.799661 -0.140350
C -4.433177 1.984899 1.044824
C 1.730765 0.175994 -0.109672
C 1.848654 1.376375 0.630767
C 2.585285 0.013526 -1.239523
C 2.768037 2.379688 0.251301
C 3.499435 1.017949 -1.615445
C 3.602421 2.217942 -0.876704
H 0.713105 -1.730263 -1.734565
H 0.237983 -0.060352 2.254755
H -0.777810 -1.424686 1.775549
H -0.523807 0.375214 -1.780966
H -1.606400 -0.976178 -2.255727
H 2.188493 -1.689444 1.863281
H 2.555809 -2.275420 0.229506
H -1.122370 -3.309509 -1.543628
H -1.507591 -2.785287 0.102955
H -4.628248 -0.203859 0.548921
H -2.088569 0.630190 1.602935
H -0.880689 1.400635 0.530255
H -2.806935 1.649043 -1.159392
H -3.517591 0.123970 -1.774932
H 0.272961 -3.321092 2.034797
H 1.770547 -4.164750 1.593096
H 1.097275 -4.197870 -0.812871
H -0.197445 -4.922667 0.171484
H -6.433351 1.532919 0.068022
H -5.263173 2.456847 -1.006904
H -3.668161 2.764289 0.961763
H -4.825529 1.843858 2.056517
H 1.238398 1.569643 1.515768
H 2.545432 -0.906906 -1.831048
H 4.142823 0.867947 -2.489800
H 4.313978 3.000016 -1.171718
H 3.467119 4.180070 0.722419


