%chk=000122681.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122681

0 1
 O   -2.757300      -1.058000     -0.3640000    
 O  -0.3097000       2.917600     -0.8640000    
 O    2.213600       2.844600     -0.5652000    
 O    4.514900      -2.508300      0.7528000    
 N    2.128000      -1.124000      0.2004000    
 C   -2.876800      -2.490600     -0.2745000    
 C  -0.3297000      -1.188100     -6.7900002E-02
 C   -1.513900     -0.4873000     -0.3453000    
 C   0.9002000     -0.4910000     -6.5200001E-02
 C   -1.490200      0.8854000     -0.6058000    
 C   0.9008000      0.8949000     -0.3347000    
 C  -0.2859000       1.579100     -0.6031000    
 C   -1.618900      -3.218300      0.1187000    
 C  -0.4318000      -2.616700      0.2213000    
 C   -2.765300       1.617800     -0.8918000    
 C   -3.350700      -2.986600      -1.645400    
 C   -3.963000      -2.758400      0.7743000    
 C    2.186900       1.643100     -0.3316000    
 C    3.367100     -0.4687000      0.2179000    
 C    3.440000      0.9070000     -3.9600000E-02
 C   -3.415400       2.162500      0.3536000    
 C    4.546500      -1.169100      0.4961000    
 C    4.668000       1.575000     -2.2299999E-02
 C    5.774500     -0.5052000      0.5144000    
 C    5.834500      0.8636000      0.2557000    
 C   -4.628000       1.860900      0.8560000    
 C   -5.217700       2.444100       2.108700    
 C   -5.520900      0.8748000      0.1507000    
 H   -1.683700      -4.285400      0.3176000    
 H   0.4372000      -3.193300      0.5094000    
 H    2.116700      -2.125700      0.3050000    
 H   -2.567500       2.472400      -1.553000    
 H   -3.421600      0.9988000      -1.507800    
 H   -2.606700      -2.766000      -2.420400    
 H   -3.540100      -4.065700      -1.648400    
 H   -4.271000      -2.473700      -1.948700    
 H   -4.900300      -2.259800      0.5023000    
 H   -4.167100      -3.828400      0.8911000    
 H   -3.671000      -2.354100       1.751100    
 H   -2.819900       2.894500      0.8988000    
 H    4.735000       2.640900     -0.2209000    
 H   0.5727000       3.307400     -0.7842000    
 H    6.689300      -1.050700      0.7304000    
 H    6.791800       1.376500      0.2709000    
 H   -5.421300       1.654500       2.839100    
 H   -6.154100       2.964500       1.883800    
 H   -4.538200       3.164400       2.575800    
 H   -6.405000       1.392300     -0.2377000    
 H   -5.864400      0.1175000      0.8648000    
 H   -5.073000      0.3289000     -0.6777000    
 H    3.610300      -2.788600      0.9586000    


%chk=000122681-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122681

0 1
O -2.843262 -1.199628 -0.272212
O -0.422075 2.881190 -0.935708
O 2.075237 2.909588 -0.682581
O 4.240847 -2.551813 0.824563
N 2.026855 -1.141374 0.256040
C -2.863158 -2.714073 -0.410517
C -0.413100 -1.240971 0.026829
C -1.613902 -0.539294 -0.311931
C 0.808929 -0.515997 -0.015683
C -1.654114 0.842340 -0.626618
C 0.828047 0.878507 -0.343573
C -0.424252 1.541389 -0.629163
C -1.696365 -3.314647 0.355418
C -0.531801 -2.619366 0.499713
C -2.955438 1.572083 -0.924999
C -2.768740 -3.033302 -1.921073
C -4.222386 -3.117799 0.180337
C 2.068672 1.635565 -0.383105
C 3.241740 -0.467285 0.240740
C 3.314099 0.920739 -0.071081
C -3.481114 2.321006 0.294481
C 4.438106 -1.183506 0.536677
C 4.577323 1.573884 -0.077914
C 5.678243 -0.533238 0.527351
C 5.745100 0.856664 0.218221
C -4.624889 2.076163 0.995386
C -5.004154 2.946505 2.184808
C -5.610657 0.962535 0.685318
H -1.823378 -4.321691 0.767181
H 0.301964 -3.081804 1.043511
H 2.060614 -2.142328 0.459187
H -2.754042 2.312142 -1.722802
H -3.699004 0.851796 -1.301100
H -1.814926 -2.666211 -2.338161
H -2.815179 -4.125814 -2.081532
H -3.604280 -2.559409 -2.466490
H -5.040029 -2.609430 -0.358904
H -4.366295 -4.209447 0.088086
H -4.278720 -2.840281 1.246193
H -2.838361 3.152094 0.619543
H 4.597844 2.640025 -0.320833
H 0.584602 3.193273 -0.905021
H 6.595481 -1.090025 0.757515
H 6.718280 1.356965 0.213746
H -5.065197 2.344769 3.114222
H -6.002838 3.405974 2.039786
H -4.274256 3.758312 2.348345
H -6.573669 1.377385 0.324200
H -5.838594 0.385632 1.603894
H -5.229270 0.254428 -0.066907
H 5.093362 -3.010921 1.016716


