%chk=000089402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089402

0 1
 O   -1.674600      -2.369100     -0.4305000    
 O   -5.086200      0.2002000      0.7348000    
 O  -0.4833000     -0.8233000      0.7803000    
 O   -4.565400       2.233100       1.575500    
 N    1.213400       1.923100      -1.109100    
 N   -2.638800     -0.3932000      3.8300000E-02
 N  -0.6444000       1.069000      -1.975800    
 C   -2.782000      0.9405000      0.5749000    
 C   -2.339100       2.003800     -0.4400000    
 C  -0.5707000      -3.272200     -0.3570000    
 C  -0.9153000       1.837000     -0.8909000    
 C   0.1908000       2.380700     -0.3268000    
 C    2.615800       2.212700     -0.9374000    
 C  -0.2823000      -3.568900       1.113900    
 C  -0.9706000      -4.548500      -1.094200    
 C   0.6370000      -2.620000      -1.028400    
 C   0.6636000       1.139900      -2.085500    
 C   -1.502500      -1.160200      0.1869000    
 C   -4.216600       1.201500       1.010900    
 C    3.280400       1.200100     -4.4399999E-02
 C    3.841100      5.9300002E-02 -0.6025000    
 C    3.324300       1.420300       1.325700    
 C    4.457400     -0.8793000      0.2251000    
 C    3.940700      0.4817000       2.153200    
 C    4.507200     -0.6681000       1.602900    
 H   -2.161600      0.9997000       1.478200    
 H   -2.464400       3.006200     -1.0700000E-02
 H   -2.991600       1.968800      -1.322900    
 H   0.3502000       3.026200      0.5257000    
 H   -3.410700     -0.7875000     -0.4913000    
 H    2.709500       3.224700     -0.5250000    
 H    3.085900       2.234400      -1.928000    
 H   -1.210100      -3.759200       1.665900    
 H   0.3516000      -4.458800       1.206900    
 H   0.2507000      -2.774100       1.641900    
 H   -1.225900      -4.330400      -2.137700    
 H   -1.865100      -4.993400     -0.6433000    
 H  -0.1694000      -5.294500      -1.082500    
 H    1.119600      -1.838600     -0.4367000    
 H    1.416000      -3.366600      -1.223500    
 H   0.3559000      -2.170500      -1.987800    
 H    1.259000      0.6489000      -2.843300    
 H    3.806900     -0.1161000      -1.674100    
 H    2.886000       2.311900       1.765000    
 H    4.897200      -1.775100     -0.2032000    
 H    3.979100      0.6458000       3.226200    
 H   -5.995700      0.4109000       1.036000    
 H    4.986500      -1.399200       2.247400    


%chk=000089402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089402

0 1
O -1.862180 -2.465646 -0.112959
O -4.839926 0.703249 1.156758
O -0.328323 -0.930945 0.856454
O -3.794455 2.451417 2.276999
N 1.250219 1.577574 -1.646442
N -2.545671 -0.366731 0.334796
N -0.832642 0.866601 -2.195296
C -2.461665 1.021892 0.770084
C -2.213378 2.038317 -0.416176
C -0.856817 -3.596538 -0.259027
C -0.913249 1.761426 -1.109981
C 0.366014 2.213487 -0.768926
C 2.716811 1.686222 -1.646155
C -0.335447 -4.006246 1.133385
C -1.720830 -4.705415 -0.885354
C 0.272780 -3.156963 -1.212601
C 0.479197 0.777622 -2.487245
C -1.467737 -1.224392 0.395781
C -3.718726 1.471022 1.507915
C 3.379523 1.251179 -0.336740
C 4.679041 1.734597 -0.041982
C 2.751637 0.351588 0.560443
C 5.354175 1.315959 1.125848
C 3.428245 -0.060753 1.731671
C 4.729075 0.413245 2.017546
H -1.609458 1.105621 1.466926
H -2.228587 3.058452 0.008285
H -3.044265 1.947258 -1.138778
H 0.713692 2.877298 0.017705
H -3.412503 -0.706904 -0.083260
H 3.010464 2.726414 -1.885200
H 3.080975 1.051791 -2.477364
H -1.178165 -4.264641 1.799027
H 0.314130 -4.895730 1.036736
H 0.244700 -3.189606 1.590949
H -2.127934 -4.376634 -1.856965
H -2.565047 -4.959984 -0.221590
H -1.111359 -5.612856 -1.045183
H 0.893897 -2.371798 -0.753740
H 0.914111 -4.025873 -1.449001
H -0.153820 -2.769137 -2.154522
H 0.914176 0.173097 -3.280474
H 5.165709 2.442364 -0.726146
H 1.735183 -0.014624 0.374706
H 6.358338 1.697663 1.342467
H 2.928255 -0.749404 2.421718
H -5.645573 1.058478 1.620209
H 5.246909 0.090585 2.927803


