%chk=000014601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014601

0 1
 O    2.524400       1.543600     -0.4219000    
 N   0.2893000     -2.2399999E-02 -0.5498000    
 N    3.862200     -0.2601000      0.1537000    
 C   -2.220300     -0.2955000     -0.7662000    
 C   -2.405800     -0.3056000      0.7832000    
 C   -1.380300      0.8063000       1.123100    
 C   -2.300700       1.219000      -1.107200    
 C   -1.746000       1.938100      0.1358000    
 C  -0.7953000     -0.8158000      -1.144000    
 C   6.9499999E-02  0.3380000      0.8554000    
 C   -3.270000      -1.098500      -1.537000    
 C   -3.829700      9.9699996E-02   1.242800    
 C   -2.115300      -1.655400       1.466600    
 C    1.592100     -0.6448000     -0.7531000    
 C    2.685200      0.3233000     -0.3320000    
 C    5.005300      0.5346000      0.5971000    
 C    4.035400      -1.704300      0.2533000    
 H   -1.467100       1.146400       2.161200    
 H   -3.333000       1.540300      -1.289500    
 H   -1.728300       1.474700      -2.006100    
 H  -0.8913000       2.577300     -0.1106000    
 H   -2.516500       2.589400      0.5642000    
 H  -0.7017000      -1.874400     -0.8721000    
 H  -0.6847000     -0.7735000      -2.235800    
 H   0.7232000       1.166400       1.149800    
 H   0.3178000     -0.4949000       1.523900    
 H   -3.240800      -2.157700      -1.261000    
 H   -4.283800     -0.7301000      -1.351700    
 H   -3.096200      -1.031100      -2.617000    
 H   -3.849900      0.2627000       2.326900    
 H   -4.200000       1.015100      0.7744000    
 H   -4.555700     -0.6901000       1.018700    
 H   -2.153100      -1.548100       2.557000    
 H   -2.862400      -2.405100       1.182500    
 H   -1.138600      -2.079400       1.225700    
 H    1.756800     -0.8657000      -1.814300    
 H    1.626400      -1.582800     -0.1931000    
 H    4.790000       1.603700      0.5265000    
 H    5.865400      0.3007000     -3.6899999E-02
 H    5.228800      0.2815000       1.637500    
 H    3.667800      -2.198800     -0.6499000    
 H    3.483700      -2.063400       1.126900    
 H    5.094800      -1.952800      0.3698000    


%chk=000014601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014601

0 1
O 2.480707 1.478169 0.313526
N 0.246607 -0.211583 -0.104859
N 4.025308 -0.225419 -0.023924
C -2.187890 -0.339982 -0.742838
C -2.620046 -0.264001 0.779744
C -1.566266 0.791210 1.264483
C -2.055030 1.171658 -1.131596
C -1.653803 1.915786 0.185582
C -0.776986 -0.995157 -0.834887
C -0.138882 0.198097 1.267999
C -3.155210 -1.116513 -1.656553
C -4.058054 0.299772 0.950722
C -2.577104 -1.612858 1.539402
C 1.589718 -0.771651 -0.218312
C 2.716620 0.260506 0.045384
C 5.142396 0.691407 0.260990
C 4.405343 -1.613579 -0.322570
H -1.798912 1.159013 2.282621
H -3.013038 1.548000 -1.538687
H -1.285693 1.304064 -1.912295
H -0.681425 2.424609 0.078237
H -2.408619 2.672821 0.466946
H -0.840849 -2.058992 -0.486876
H -0.478041 -1.029883 -1.902949
H 0.577014 0.971868 1.594149
H -0.070016 -0.652723 1.993725
H -3.220280 -2.184726 -1.372271
H -4.173577 -0.691143 -1.616904
H -2.818846 -1.071498 -2.710347
H -4.242399 0.536834 2.016341
H -4.228687 1.220573 0.367835
H -4.817309 -0.442303 0.640907
H -2.846498 -1.460154 2.602470
H -3.311761 -2.322079 1.112011
H -1.590011 -2.101827 1.517606
H 1.712803 -1.160464 -1.249501
H 1.748341 -1.647616 0.469297
H 4.722691 1.682466 0.490317
H 5.814599 0.771773 -0.615121
H 5.732243 0.332382 1.127153
H 3.555931 -2.192959 -0.709778
H 4.793924 -2.127463 0.580357
H 5.202589 -1.625933 -1.090736


