%chk=000023207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023207

0 1
 O    1.075900     -0.7889000      0.6875000    
 O   0.7332000       2.808000     -0.9781000    
 O   -1.946500      0.3875000     -0.7442000    
 O   -1.137200      -1.970300       1.371600    
 N  -8.5500002E-02   1.524400      0.7725000    
 N   -3.654200       1.835800     -0.1373000    
 N   -1.070900      -3.644000     -0.2364000    
 C    2.180500       1.196900     -7.9499997E-02
 C    2.208800     -0.1209000      0.3297000    
 C   -1.392500       2.114700      0.8230000    
 C   0.8870000       1.925100     -0.1383000    
 C   0.7462000      -1.954100     -6.5499999E-02
 C    3.326200       1.877600     -0.4413000    
 C   -2.339600       1.358300     -9.1799997E-02
 C    3.433600     -0.7866000      0.3790000    
 C  -0.5690000      -2.522300      0.4244000    
 C    4.551000       1.211900     -0.3918000    
 C    4.604800     -0.1200000      1.8400000E-02
 C   -4.094600       2.985200      0.6434000    
 C   -4.682700       1.217700     -0.9706000    
 C   -2.338400      -4.221400      0.1937000    
 C  -0.4362000      -4.314700      -1.368200    
 H   -1.736500       2.039100       1.858400    
 H   -1.325000       3.161000      0.5103000    
 H   0.1200000      0.7942000       1.447100    
 H   0.6461000      -1.682400      -1.122300    
 H    1.514700      -2.722900      6.5300003E-02
 H    3.302800       2.916400     -0.7571000    
 H    3.499700      -1.818200      0.7127000    
 H    5.463300       1.731300     -0.6703000    
 H    5.559100     -0.6368000      6.1200000E-02
 H   -4.417100       3.767200     -5.1100001E-02
 H   -4.949500       2.679600       1.255000    
 H   -3.340400       3.405900       1.306100    
 H   -5.062600       1.963600      -1.674400    
 H   -5.494800      0.8665000     -0.3277000    
 H   -4.277200      0.3708000      -1.529800    
 H   -2.767000      -3.681100       1.041400    
 H   -2.170400      -5.262200      0.4858000    
 H   -3.043300      -4.184600     -0.6421000    
 H   -1.106500      -4.250800      -2.230600    
 H  -0.2775000      -5.365400      -1.107800    
 H   0.5239000      -3.873800      -1.636900    


%chk=000023207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023207

0 1
O 1.706038 -1.192141 0.956427
O 0.513013 2.681399 -0.453166
O -1.775087 -0.147863 -0.886302
O -0.703745 -1.841421 1.887080
N -0.039147 0.960742 1.004182
N -3.518242 1.293284 -0.339522
N -1.291986 -3.154388 0.049701
C 2.242528 1.054529 0.050242
C 2.634017 -0.271855 0.390045
C -1.432398 1.373262 1.036620
C 0.844208 1.618705 0.173227
C 0.847655 -1.897855 -0.013006
C 3.235663 1.928132 -0.464594
C -2.245325 0.775904 -0.147138
C 3.972790 -0.695439 0.248524
C -0.443649 -2.296126 0.727260
C 4.573297 1.512298 -0.614626
C 4.946776 0.196817 -0.248974
C -4.087776 2.395972 0.454675
C -4.320226 0.835131 -1.487540
C -2.597021 -3.471525 0.655611
C -1.171627 -3.410807 -1.396957
H -1.879927 1.033685 1.988261
H -1.473727 2.475466 0.988624
H 0.228713 0.083455 1.476577
H 0.574917 -1.230094 -0.853681
H 1.393522 -2.781954 -0.395736
H 2.913843 2.937286 -0.742337
H 4.231588 -1.717422 0.543775
H 5.322221 2.208053 -1.007506
H 5.986458 -0.132995 -0.351965
H -3.868353 3.383614 0.001939
H -5.184355 2.274049 0.504901
H -3.705446 2.389478 1.486461
H -4.543063 1.679822 -2.167386
H -5.275694 0.392958 -1.146143
H -3.738273 0.077249 -2.032984
H -2.554623 -3.221826 1.726156
H -2.819810 -4.546501 0.529380
H -3.403952 -2.876510 0.182901
H -1.630226 -2.585215 -1.975801
H -1.683762 -4.357438 -1.641328
H -0.118106 -3.514616 -1.702478


