%chk=000045614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045614

0 1
 O   0.9800000      0.4652000       2.049800    
 O  -0.2343000       2.393400       1.707400    
 N   -3.163500     -0.3464000     -0.3921000    
 C   0.3782000       1.020500     -0.2295000    
 C   -1.034900      0.7953000     -0.7648000    
 C    1.116200       2.104400      -1.013200    
 C    1.155100     -0.2413000     -0.1563000    
 C   -1.826800     -0.1322000      0.1493000    
 C   0.3192000       1.400200       1.254700    
 C    1.458900     -0.4892000       1.170300    
 C    2.473600       2.409800     -0.3893000    
 C    1.569900      -1.111000      -1.150400    
 C    2.180700      -1.601100       1.563200    
 C    2.301300      -2.242200     -0.7785000    
 C   -3.883500      0.9233000     -0.5055000    
 C   -3.915100      -1.282900      0.4454000    
 C    3.196600       3.507000      -1.154000    
 C    2.604500      -2.485800      0.5706000    
 C    2.763300      -3.201600      -1.824200    
 C   -5.253900      0.7235000      -1.130000    
 C   -3.185600      -2.609000      0.5770000    
 H   -1.002900      0.3925000      -1.785700    
 H   -1.494600       1.786900     -0.8192000    
 H   0.5201000       3.026400      -1.028800    
 H    1.251100       1.797400      -2.058300    
 H   -1.899800      0.2611000       1.169900    
 H   -1.288500      -1.081700      0.1934000    
 H    3.120000       1.525700     -0.3888000    
 H    2.374000       2.744000      0.6487000    
 H    1.331900     -0.9138000      -2.190700    
 H    2.413000      -1.784700       2.606100    
 H   -3.983200       1.429900      0.4626000    
 H   -3.381600       1.610100      -1.191100    
 H   -4.115200     -0.8722000       1.443100    
 H   -4.879800      -1.521000     -1.4300000E-02
 H    3.367900       3.212900      -2.194500    
 H    2.617700       4.436000      -1.149800    
 H    4.169200       3.711900     -0.6956000    
 H    3.175000      -3.366500      0.8548000    
 H   -5.202200      0.1123000      -2.037500    
 H   -5.968200      0.2704000     -0.4357000    
 H   -5.673000       1.695300      -1.415500    
 H   -2.834400      -2.980600     -0.3918000    
 H   -2.339800      -2.556200       1.269800    
 H   -3.869700      -3.362600      0.9839000    
 H    3.769200      -2.932900      -2.161700    
 H    2.783500      -4.226000      -1.437100    
 H    2.091200      -3.199300      -2.689000    


%chk=000045614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045614

0 1
O 1.089847 0.856758 2.189650
O -0.165275 2.748555 1.630067
N -3.256272 -0.272387 -0.248555
C 0.417710 1.067556 -0.156026
C -1.040666 0.811686 -0.655617
C 1.127957 2.066109 -1.130171
C 1.213288 -0.204897 0.089763
C -1.851372 -0.168535 0.219045
C 0.369022 1.696751 1.259429
C 1.571810 -0.267165 1.453010
C 2.565706 2.466536 -0.732963
C 1.608059 -1.240590 -0.771263
C 2.310523 -1.318249 2.003088
C 2.364092 -2.335362 -0.262043
C -4.110323 0.834810 0.266672
C -3.850703 -1.616882 -0.015684
C 3.193026 3.438391 -1.755283
C 2.700862 -2.355587 1.117765
C 2.810007 -3.457329 -1.185142
C -5.315569 1.138195 -0.643648
C -3.334059 -2.679582 -1.004301
H -1.001421 0.416765 -1.688261
H -1.555913 1.790157 -0.700084
H 0.497802 2.975090 -1.197010
H 1.137091 1.601750 -2.137103
H -1.800238 0.147277 1.291866
H -1.383900 -1.167449 0.164889
H 3.196278 1.560716 -0.645380
H 2.555465 2.945617 0.266153
H 1.338399 -1.214397 -1.834442
H 2.570919 -1.337821 3.064815
H -4.463832 0.619865 1.306752
H -3.482954 1.742247 0.337426
H -3.679266 -1.961414 1.035707
H -4.945119 -1.526153 -0.139768
H 3.244357 2.981050 -2.761689
H 2.598301 4.367474 -1.837412
H 4.219872 3.720740 -1.460423
H 3.280342 -3.198669 1.511534
H -4.968398 1.403921 -1.657324
H -5.994022 0.270465 -0.733922
H -5.903899 1.981521 -0.236247
H -3.560701 -2.375029 -2.040944
H -2.240800 -2.821690 -0.921824
H -3.813473 -3.656885 -0.807473
H 3.581745 -3.109809 -1.898600
H 3.239249 -4.300529 -0.617348
H 1.967245 -3.848392 -1.784579


