%chk=000015491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015491

0 1
 O   0.9250000      -2.306500      0.1336000    
 N   -3.010000     -0.4598000      0.2495000    
 N   0.6147000     -0.1234000     -0.6257000    
 C   -3.571300      0.4752000     -0.7250000    
 C   -3.806100     -0.2684000       1.461500    
 C   -5.070800      0.3271000     -0.5142000    
 C   -5.225300     -0.1582000      0.9239000    
 C   -1.589600     -0.2391000      0.4771000    
 C  -0.8181000     -0.3708000     -0.8279000    
 C    2.914100      -1.090600     -0.4318000    
 C    1.401800      -1.235700     -0.2551000    
 C    1.084200       1.192600     -0.8022000    
 C    3.414900     -0.2024000      0.6635000    
 C    2.184100       1.715600     -0.2185000    
 C    3.069500       1.091100      0.7467000    
 C    3.619000      -2.447800     -0.4011000    
 C   0.2563000       2.111000      -1.676100    
 C    3.607800       1.989900       1.821800    
 H   -3.322700      0.2251000      -1.760700    
 H   -3.268500       1.510800     -0.5236000    
 H   -3.536700      0.6583000       1.984400    
 H   -3.703200      -1.105100       2.159600    
 H   -5.491000     -0.4158000      -1.202500    
 H   -5.595100       1.273600     -0.6809000    
 H   -5.828700      0.5321000       1.522100    
 H   -5.722800      -1.135100      0.9341000    
 H   -1.218200     -0.9729000       1.202800    
 H   -1.409800      0.7525000      0.9134000    
 H   -1.203300      0.2457000      -1.639300    
 H  -0.9308000      -1.401400      -1.193600    
 H    3.117800     -0.6477000      -1.415300    
 H    4.090600     -0.6240000       1.403600    
 H    2.430700       2.757900     -0.4201000    
 H    3.473000      -2.962200      0.5559000    
 H    3.230400      -3.102300      -1.189200    
 H    4.696900      -2.332600     -0.5606000    
 H   0.7544000       3.072100      -1.850000    
 H  -0.7079000       2.340900      -1.211000    
 H   9.7499996E-02   1.668200      -2.665400    
 H    2.788300       2.422600       2.406100    
 H    4.193400       2.807000       1.386500    
 H    4.259800       1.451900       2.518500    


%chk=000015491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015491

0 1
O 0.955521 -2.456090 -0.124914
N -2.994091 -0.278786 0.238437
N 0.678086 -0.222211 -0.768662
C -3.709084 0.649624 -0.677951
C -3.752377 -0.235896 1.515367
C -5.215852 0.485115 -0.314087
C -5.221691 -0.291189 1.045269
C -1.547346 -0.046071 0.373498
C -0.783391 -0.488029 -0.895368
C 2.997522 -1.097444 -0.428772
C 1.478707 -1.340242 -0.413547
C 1.148874 1.115660 -0.943696
C 3.316842 -0.247889 0.789162
C 2.164037 1.692701 -0.202183
C 2.961341 1.075268 0.859309
C 3.772876 -2.425409 -0.456030
C 0.403266 1.955838 -1.972298
C 3.401665 1.969537 2.007844
H -3.501390 0.401918 -1.734265
H -3.383960 1.710210 -0.507734
H -3.561215 0.712133 2.082932
H -3.467941 -1.084156 2.162647
H -5.758179 -0.080760 -1.090220
H -5.702270 1.472128 -0.222446
H -5.912099 0.150611 1.784638
H -5.518860 -1.341136 0.881862
H -1.170416 -0.644324 1.222765
H -1.318292 1.031004 0.594289
H -1.173759 0.024245 -1.789846
H -0.914952 -1.573082 -1.025555
H 3.225157 -0.497818 -1.335809
H 3.856739 -0.730010 1.614951
H 2.344779 2.758702 -0.396604
H 3.494148 -3.054670 0.406330
H 3.546309 -3.001970 -1.369311
H 4.860038 -2.230173 -0.422742
H 0.936317 2.907080 -2.130869
H -0.626767 2.202348 -1.650888
H 0.334041 1.435814 -2.946037
H 2.534215 2.360818 2.572629
H 3.961806 2.847587 1.630173
H 4.055945 1.428418 2.712529


