%chk=000045126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045126

0 1
 O    1.333500      -2.172900     -0.1241000    
 O  -0.6031000      -2.617400       1.038200    
 N    4.083600      -1.719500      0.3821000    
 C  -0.6216000      -1.062500     -0.8731000    
 C   0.1698000      0.2518000     -0.9313000    
 C   -2.091500     -0.8536000     -0.7281000    
 C    3.516000      -3.058700      0.3338000    
 C  -5.2000000E-03  -2.050800      0.1320000    
 C   0.6424000      0.7832000      0.2440000    
 C   -2.597600     -0.2230000      0.4087000    
 C    2.055900      -3.038600      0.7572000    
 C   0.3709000      0.8375000      -2.153900    
 C   -2.957300      -1.287400      -1.727500    
 C    1.368100       1.985000      0.2074000    
 C   -3.978900     -1.8800000E-02  0.5601000    
 C    3.992100      -1.166300       1.735500    
 C    5.478400      -1.731300     -6.5600000E-02
 C    1.595600       2.618600      -1.037400    
 C   -4.859200     -0.4598000     -0.4563000    
 C    1.090200       2.031700      -2.209000    
 C   -4.332300      -1.092500      -1.594000    
 C    1.873900       2.571400       1.379100    
 C   -4.505600      0.6142000       1.697900    
 C    4.518900      0.2580000       1.783100    
 C    5.599800      -2.301500      -1.468700    
 C    2.321500       3.820300      -1.073900    
 C   -6.240400     -0.2556000     -0.3048000    
 C    2.592800       3.765800       1.324300    
 C   -5.880600      0.8089000       1.831800    
 C    2.816000       4.389100      0.1002000    
 C   -6.746300      0.3746000      0.8324000    
 H  -0.4532000      -1.573000      -1.835400    
 H    4.074100      -3.762500      0.9639000    
 H    3.521700      -3.444700     -0.6909000    
 H   0.4660000      0.2999000       1.201400    
 H   -1.928200      0.1046000       1.200500    
 H    1.897600      -2.763500       1.804400    
 H    1.655300      -4.053400      0.6349000    
 H  -1.2900000E-02  0.4013000      -3.070700    
 H   -2.580800      -1.780100      -2.620100    
 H    4.518500      -1.785900       2.472100    
 H    2.950700      -1.081900       2.057100    
 H    6.122500      -2.298500      0.6182000    
 H    5.872800     -0.7114000     -0.1223000    
 H    1.252600       2.501500      -3.176900    
 H   -4.990400      -1.439600      -2.387900    
 H    1.711400       2.101700       2.347000    
 H   -3.847700      0.9620000       2.491700    
 H    4.180600      0.7498000       2.701700    
 H    4.168000      0.8524000      0.9345000    
 H    5.613300      0.2880000       1.797400    
 H    6.596300      -2.079900      -1.867700    
 H    4.870000      -1.856800      -2.154000    
 H    5.494300      -3.390600      -1.489400    
 H    2.508400       4.324800      -2.019600    
 H   -6.935800     -0.5867000      -1.073400    
 H    2.978900       4.208500       2.237800    
 H   -6.275100       1.299600       2.716700    
 H    3.376100       5.318700      5.8200002E-02
 H   -7.816700      0.5264000      0.9373000    


%chk=000045126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045126

0 1
O 1.465029 -1.857728 0.456396
O 0.588463 -0.411251 2.054006
N 4.276612 -3.079822 0.441487
C 0.145569 -0.041366 -0.378759
C 0.373427 1.473850 -0.425474
C -1.344846 -0.435998 -0.470182
C 3.007092 -3.689692 0.898286
C 0.740400 -0.736887 0.853416
C 0.588165 2.273357 0.701864
C -2.340079 0.287317 0.192919
C 2.059306 -2.681650 1.550931
C 0.331854 2.095006 -1.722192
C -1.706237 -1.602012 -1.225306
C 0.774781 3.691201 0.580931
C -3.714319 -0.112997 0.128266
C 5.275582 -2.962488 1.536795
C 4.815009 -3.700393 -0.797340
C 0.734786 4.307529 -0.728785
C -4.074492 -1.288769 -0.639386
C 0.507218 3.469219 -1.870289
C -3.035743 -2.015184 -1.309698
C 1.001545 4.521212 1.728799
C -4.748953 0.616952 0.803411
C 6.323986 -1.861555 1.288494
C 4.038502 -3.280316 -2.060248
C 0.923758 5.724218 -0.841924
C -5.451047 -1.686014 -0.703417
C 1.181953 5.899904 1.590600
C -6.081353 0.205631 0.725239
C 1.142999 6.507207 0.294406
C -6.436138 -0.955488 -0.034833
H 0.655408 -0.493140 -1.248536
H 3.180873 -4.519867 1.629346
H 2.486161 -4.138455 0.034158
H 0.616952 1.815962 1.696395
H -2.072300 1.179459 0.770223
H 2.576019 -2.009584 2.257980
H 1.230832 -3.185443 2.084238
H 0.155617 1.467844 -2.604558
H -0.918501 -2.169516 -1.735148
H 5.788469 -3.940466 1.729843
H 4.726098 -2.713849 2.464997
H 4.839357 -4.818008 -0.720143
H 5.864823 -3.374671 -0.907377
H 0.475164 3.924977 -2.867261
H -3.301860 -2.904444 -1.893747
H 1.032876 4.054583 2.720632
H -4.476313 1.505844 1.384692
H 7.004485 -1.777050 2.156186
H 5.823146 -0.890373 1.133534
H 6.944753 -2.070706 0.398788
H 4.480844 -3.749342 -2.959284
H 4.070974 -2.183324 -2.174736
H 2.976120 -3.580011 -2.010613
H 0.892983 6.186039 -1.836303
H -5.719982 -2.575438 -1.286205
H 1.354836 6.523871 2.474428
H -6.863157 0.770011 1.245338
H 1.285913 7.589404 0.199552
H -7.485321 -1.266700 -0.088234


