%chk=000063844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063844

0 1
 O    1.597400       2.338300      0.9953000    
 N   -1.814700      -2.060100     -0.5660000    
 N   -3.100800      -4.135200      0.9960000    
 N  -1.1500000E-02  0.9498000     -2.0800000E-02
 N   0.6806000      -1.140500     -0.9222000    
 N    5.971000     -0.1970000      0.6970000    
 C   -1.614500      -2.154100      0.8859000    
 C   -3.132600      -2.588200     -0.9411000    
 C   -1.658000     -0.6810000      -1.023800    
 C   -1.789300      -3.597500       1.364600    
 C   -3.298500      -4.029000     -0.4514000    
 C  -0.2463000     -0.2723000     -0.6556000    
 C   -1.045700       1.933100      0.1496000    
 C    1.277200       1.287900      0.4439000    
 C    2.333200      0.2904000      0.1707000    
 C    1.993400     -0.8708000     -0.5231000    
 C   -1.289400       2.880200     -0.8382000    
 C    3.653000      0.5193000      0.5778000    
 C   -1.797100       1.919300       1.319400    
 C    2.994000      -1.807700     -0.8071000    
 C    4.639800     -0.4223000      0.2891000    
 C   -2.297800       3.826200     -0.6541000    
 C    4.311200      -1.584900     -0.4039000    
 C  -0.4931000       2.912100      -2.102400    
 C   -2.805500       2.865300       1.503600    
 C   -3.055800       3.818900      0.5167000    
 H  -0.6126000      -1.844600       1.199900    
 H   -2.328300      -1.507800       1.415400    
 H   -3.936300      -1.964000     -0.5277000    
 H   -3.239200      -2.578500      -2.032500    
 H   -1.732000     -0.6338000      -2.117000    
 H   -2.426700     -3.0200001E-02 -0.6031000    
 H  -0.9944000      -4.233000      0.9536000    
 H   -1.692100      -3.628900       2.455400    
 H   -4.308000      -4.377600     -0.6955000    
 H   -2.596300      -4.690800     -0.9743000    
 H   -3.159400      -5.113300       1.277100    
 H    3.918800       1.426000       1.116000    
 H   -1.610200       1.180000       2.093800    
 H    2.750400      -2.722100      -1.342900    
 H   -2.506500       4.576100      -1.412400    
 H    5.070700      -2.327200     -0.6354000    
 H  -0.8152000       3.722800      -2.765200    
 H   0.5677000       3.074100      -1.886100    
 H  -0.6117000       1.975400      -2.656400    
 H   -3.395900       2.859200       2.415100    
 H   -3.841100       4.555300      0.6603000    
 H    6.210000      0.6456000       1.202700    
 H    6.686400     -0.8812000      0.4901000    


%chk=000063844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063844

0 1
O 1.583348 2.442155 0.857352
N -1.901848 -2.107445 -0.487806
N -3.677078 -3.841372 0.938996
N 0.150205 0.811291 -0.053204
N 0.975994 -1.266694 -0.953804
N 6.250975 0.140605 0.539980
C -2.052878 -1.996259 0.983644
C -3.144880 -2.612488 -1.122455
C -1.430149 -0.860442 -1.136005
C -2.427233 -3.366669 1.575174
C -3.523198 -3.980546 -0.526527
C -0.029387 -0.449803 -0.691576
C -0.966791 1.718814 0.205307
C 1.448367 1.295027 0.335120
C 2.553102 0.355029 0.070843
C 2.271163 -0.894057 -0.569022
C -1.304625 2.705397 -0.759615
C 3.871236 0.706042 0.439302
C -1.656334 1.620104 1.431041
C 3.356704 -1.778705 -0.826875
C 4.943289 -0.182512 0.182302
C -2.389925 3.566870 -0.463722
C 4.661649 -1.435474 -0.460552
C -0.515219 2.846815 -2.045455
C -2.730470 2.492077 1.708622
C -3.101893 3.464502 0.752884
H -1.089049 -1.664306 1.413007
H -2.842912 -1.254712 1.264152
H -4.003327 -1.908628 -0.972852
H -2.967712 -2.718030 -2.209731
H -1.375166 -1.062599 -2.222568
H -2.139363 -0.013034 -0.985959
H -1.567192 -4.060113 1.408428
H -2.590967 -3.265497 2.663987
H -4.481596 -4.319144 -0.961804
H -2.727540 -4.712502 -0.809314
H -4.048481 -4.691986 1.380692
H 4.032304 1.676032 0.923197
H -1.340056 0.870927 2.163886
H 3.135392 -2.732020 -1.316364
H -2.671250 4.333460 -1.195429
H 5.486464 -2.129632 -0.664123
H -0.961518 3.612256 -2.702073
H 0.526598 3.147633 -1.827937
H -0.466504 1.896945 -2.609835
H -3.266775 2.414816 2.660210
H -3.935229 4.146023 0.956620
H 6.460986 1.022975 0.997222
H 7.017071 -0.499423 0.353439


