%chk=000045836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045836

0 1
 O    1.022100     -0.1782000     -0.1679000    
 O    1.779600      -2.260900      0.4549000    
 N   -2.638600      8.3899997E-02 -0.4800000    
 N   -5.458400     -0.2773000     -3.6600001E-02
 N    7.138500       1.192500     -0.1705000    
 C   -3.578300       1.147900     -0.8760000    
 C   -3.123700     -0.2588000      0.8689000    
 C   -3.698800       2.038600      0.3684000    
 C   -3.394200       1.096300       1.537100    
 C   -4.914900      0.4392000      -1.202400    
 C   -4.429300      -1.064200      0.6628000    
 C   -1.243700      0.5140000     -0.4965000    
 C   -6.611900      -1.094300     -0.3949000    
 C  -0.3227000     -0.6363000     -0.1222000    
 C    1.977900      -1.096700      0.1443000    
 C    3.332900     -0.4954000      6.1200000E-02
 C    4.400400      -1.301300     -0.2775000    
 C    3.482700      0.8506000      0.3257000    
 C    5.673500     -0.7367000     -0.3548000    
 C    4.755800       1.415400      0.2482000    
 C    5.851300      0.6217000     -9.2200004E-02
 H   -3.244600       1.708200      -1.756500    
 H   -2.450400     -0.8746000       1.469200    
 H   -4.686700       2.501300      0.4644000    
 H   -2.956200       2.844700      0.3433000    
 H   -2.505800       1.450700       2.072900    
 H   -4.220900       1.057600       2.254200    
 H   -5.642900       1.191100      -1.531000    
 H   -4.757800     -0.2520000      -2.042000    
 H   -4.199100      -1.983000      0.1057000    
 H   -4.817500      -1.366300       1.643200    
 H   -1.041600       1.370800      0.1577000    
 H  -0.9760000      0.8482000      -1.507400    
 H   -7.396600     -0.4760000     -0.8445000    
 H   -7.047400      -1.557500      0.4973000    
 H   -6.351000      -1.888700      -1.103000    
 H  -0.4470000      -1.466200     -0.8288000    
 H  -0.5103000      -1.001100      0.8913000    
 H    4.274000      -2.359200     -0.4875000    
 H    2.648500       1.486900      0.6058000    
 H    6.519000      -1.365500     -0.6217000    
 H    4.882000       2.474500      0.4581000    
 H    7.933000      0.6178000     -0.4179000    
 H    7.268000       2.177400      1.9300001E-02


%chk=000045836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045836

0 1
O 1.066507 -0.136772 -0.283975
O 1.858487 -2.331761 -0.258246
N -2.660994 0.082275 -0.370099
N -5.515281 -0.288012 -0.004063
N 7.342283 1.171147 0.067627
C -3.644196 1.122730 -0.824247
C -3.237949 -0.262169 0.976382
C -3.857082 2.058411 0.416182
C -3.596850 1.116843 1.636905
C -4.945993 0.378857 -1.199964
C -4.508771 -1.103007 0.719505
C -1.248836 0.541530 -0.332442
C -6.756054 -1.024907 -0.289712
C -0.316580 -0.674470 -0.378147
C 2.094810 -1.094683 -0.236623
C 3.434456 -0.472093 -0.158773
C 4.575449 -1.318599 -0.103475
C 3.626843 0.936479 -0.136547
C 5.868398 -0.782789 -0.028555
C 4.916260 1.483952 -0.061436
C 6.062212 0.632667 -0.006181
H -3.255604 1.652414 -1.711648
H -2.517820 -0.853443 1.568092
H -4.879128 2.472314 0.435988
H -3.140268 2.899837 0.393200
H -2.763715 1.481814 2.264580
H -4.494148 1.024503 2.270707
H -5.696040 1.094596 -1.589743
H -4.702975 -0.348923 -2.014019
H -4.210732 -2.015265 0.145087
H -4.952099 -1.429931 1.680306
H -0.998772 1.157894 0.562151
H -1.060339 1.167869 -1.223741
H -7.498629 -0.344114 -0.744902
H -7.182954 -1.416855 0.651679
H -6.609596 -1.889473 -0.986676
H -0.433346 -1.235695 -1.321158
H -0.492373 -1.371570 0.461475
H 4.418843 -2.402468 -0.120964
H 2.751545 1.590881 -0.179390
H 6.738370 -1.449383 0.012928
H 5.050298 2.572509 -0.045005
H 8.159788 0.569011 0.106484
H 7.485474 2.176946 0.082554


