%chk=000129323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129323

0 1
 O    5.132300      0.6452000       1.782000    
 N   -4.616800     -0.1644000     -0.1959000    
 C   -2.081000     -0.2708000     -0.3236000    
 C   -1.115900      -1.269600      0.3445000    
 C   0.3210000      -1.158700     -0.1743000    
 C   0.8455000      0.2894000      5.2299999E-02
 C   -3.392300     -0.7050000      0.3713000    
 C    2.316500      0.4653000     -0.5022000    
 C   -1.602200       1.145900      1.9600000E-02
 C   -1.840200      -2.610700      0.2317000    
 C  -0.1517000       1.375100     -0.4397000    
 C   -3.335500      -2.246800      0.3282000    
 C    1.234300      -2.168500      0.5361000    
 C   -2.188100     -0.4335000      -1.862500    
 C    3.196300     -0.7287000     -0.1077000    
 C    2.915700       1.763800      0.1136000    
 C    2.691400      -1.882100      0.3645000    
 C   -4.629500       1.291400     -0.1237000    
 C    2.325600      0.5767000      -2.045800    
 C    4.695500     -0.5707000     -0.2630000    
 C    4.419500       1.937500     -0.1180000    
 C   -4.529900       1.983700       1.207700    
 C   -5.821900       2.010500      0.4447000    
 C    5.211500      0.7250000      0.3601000    
 H   -1.076400      -1.037700       1.422500    
 H   0.3388000      -1.391700      -1.245000    
 H   0.8989000      0.4200000       1.145700    
 H   -3.345300     -0.4322000       1.434900    
 H   -1.655800       1.315600       1.102300    
 H   -2.201600       1.921600     -0.4593000    
 H   -1.546700      -3.299300       1.030600    
 H   -1.629000      -3.102300     -0.7246000    
 H  -0.1442000       1.435500      -1.531900    
 H   0.1662000       2.359100     -7.6800004E-02
 H   -3.868500      -2.657600     -0.5377000    
 H   -3.795500      -2.679100       1.223800    
 H    1.025400      -3.173400      0.1496000    
 H    1.021100      -2.192900       1.612100    
 H   -1.220600     -0.3355000      -2.362500    
 H   -2.592200      -1.407300      -2.155900    
 H   -2.839400      0.3312000      -2.298700    
 H    2.724400       1.786200       1.194600    
 H    2.409100       2.645300     -0.2983000    
 H   -4.747200     -0.4829000      -1.154400    
 H    3.365800      -2.686800      0.6473000    
 H   -4.216700       1.784100     -0.9983000    
 H    3.340600      0.5953000      -2.456400    
 H    1.810800     -0.2668000      -2.517200    
 H    1.843900       1.498400      -2.388000    
 H    5.219500      -1.417400      0.1982000    
 H    4.944800     -0.5883000      -1.330400    
 H    4.615300       2.113800      -1.181700    
 H    4.750800       2.831900      0.4234000    
 H   -3.958200       2.902800       1.257700    
 H   -4.517800       1.405600       2.123200    
 H   -6.646800       1.423700      0.8303000    
 H   -6.115300       2.946800     -1.4500000E-02
 H    6.269300      0.8572000      0.1089000    
 H    4.226200      0.4039000       2.035200    


%chk=000129323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129323

0 1
O 5.307023 0.470024 1.808048
N -4.622203 -0.018415 -0.103302
C -1.994404 -0.131525 -0.328972
C -1.037227 -1.166425 0.335499
C 0.414162 -1.128904 -0.183094
C 0.996922 0.308702 -0.001375
C -3.337893 -0.504655 0.417333
C 2.464528 0.442472 -0.564124
C -1.423364 1.277853 -0.035638
C -1.819295 -2.504438 0.283883
C 0.038295 1.408793 -0.542225
C -3.312170 -2.072251 0.458341
C 1.292859 -2.149977 0.577857
C -2.173674 -0.348320 -1.853053
C 3.313513 -0.776280 -0.144946
C 3.115823 1.729491 0.059994
C 2.773732 -1.906533 0.391765
C -4.961518 1.379752 0.049917
C 2.477956 0.551120 -2.120622
C 4.822136 -0.665887 -0.348385
C 4.639994 1.854113 -0.159522
C -5.496049 1.833578 1.418248
C -6.444343 1.736270 0.212401
C 5.390860 0.599464 0.337607
H -0.984603 -0.871239 1.411448
H 0.427758 -1.395433 -1.261082
H 1.073761 0.460588 1.100952
H -3.246411 -0.109963 1.451045
H -1.456221 1.458719 1.059932
H -2.040120 2.067475 -0.508443
H -1.494053 -3.209051 1.069880
H -1.660620 -3.010628 -0.688116
H 0.029230 1.384928 -1.647872
H 0.424892 2.406658 -0.258284
H -3.944093 -2.475151 -0.356446
H -3.750568 -2.438916 1.402519
H 1.045569 -3.180631 0.252819
H 1.041801 -2.114300 1.662021
H -1.222432 -0.257775 -2.405173
H -2.590746 -1.346017 -2.083484
H -2.867976 0.408417 -2.266003
H 2.917773 1.729056 1.151581
H 2.615587 2.627463 -0.349445
H -4.875452 -0.415046 -1.015553
H 3.451284 -2.721062 0.691042
H -4.352017 2.128631 -0.484597
H 3.505434 0.497967 -2.520997
H 1.902745 -0.273111 -2.579640
H 2.043952 1.509047 -2.459291
H 5.326058 -1.562986 0.056097
H 5.067403 -0.614427 -1.428681
H 4.869301 2.005218 -1.233680
H 5.021953 2.739478 0.381807
H -5.214807 2.824835 1.785399
H -5.589433 1.059052 2.184539
H -7.152384 0.902866 0.205134
H -6.808033 2.662314 -0.242744
H 6.473376 0.695706 0.140821
H 4.440229 0.036094 2.025459


