%chk=000050729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050729

0 1
 O   -2.548400      -1.536300     -0.4707000    
 O   -2.211400      -2.251700       1.691100    
 N   -3.846900      0.9643000     -0.7020000    
 N    3.703700      -2.194900     -0.8451000    
 C   -1.146800       2.043000     -0.1411000    
 C   -2.381500       2.292000      0.7327000    
 C   0.1643000       2.030600      0.6520000    
 C   -3.697700       2.274600     -6.3600004E-02
 C    1.405200       1.855300     -0.2278000    
 C    2.686600       1.921900      0.6077000    
 C    3.964400       1.787200     -0.2255000    
 C   -3.753300       3.353400      -1.143400    
 C   -4.257400     -3.5500001E-02  0.2699000    
 C    5.241000       1.780100      0.6162000    
 C   -3.946800      -1.435200     -0.2360000    
 C    6.474400       1.572100     -0.2495000    
 C   -1.794100      -1.958000      0.5816000    
 C  -0.3582000      -2.019200      0.2089000    
 C   0.6233000      -1.804400       1.176500    
 C   9.3999999E-03  -2.292000      -1.108600    
 C    1.972300      -1.862300      0.8265000    
 C    1.358300      -2.349900      -1.458800    
 C    2.339700      -2.135100     -0.4912000    
 H   -1.235400       1.087400     -0.6694000    
 H   -1.071600       2.824100     -0.9059000    
 H   -2.278400       3.277800       1.205700    
 H   -2.393400       1.574900       1.560000    
 H   0.1276000       1.229100       1.399100    
 H   0.2493000       2.973500       1.206700    
 H   -4.532600       2.462900      0.6241000    
 H    1.427700       2.644800     -0.9886000    
 H    1.352400      0.8994000     -0.7595000    
 H    2.664900       1.129500       1.365400    
 H    2.717700       2.874700       1.150800    
 H    4.010300       2.610900     -0.9488000    
 H    3.912200      0.8597000     -0.8084000    
 H   -4.538500       1.006400      -1.450000    
 H   -3.548600       4.340400     -0.7151000    
 H   -4.749600       3.391500      -1.599200    
 H   -3.034000       3.177800      -1.950200    
 H   -3.757300      8.4100001E-02   1.234800    
 H   -5.333900      5.3599998E-02  0.4584000    
 H    5.332000       2.727300       1.160000    
 H    5.188100      0.9795000       1.363000    
 H   -4.456400      -1.622800      -1.188000    
 H   -4.300900      -2.199300      0.4661000    
 H    6.425700      0.6147000     -0.7781000    
 H    6.571400       2.370700     -0.9920000    
 H    7.376400       1.572500      0.3702000    
 H   0.3532000      -1.586000       2.206300    
 H  -0.7337000      -2.474500      -1.880400    
 H    2.727900      -1.690900       1.588900    
 H    1.632300      -2.565400      -2.488400    
 H    3.970500      -2.382100      -1.802400    
 H    4.415300      -2.021800     -0.1476000    


%chk=000050729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050729

0 1
O -2.406235 -1.681518 -0.405743
O -1.885581 -1.944576 1.857806
N -3.930637 0.949289 -0.575580
N 3.948772 -2.345479 -1.006653
C -1.264953 2.411264 -0.234277
C -2.540277 2.677399 0.595563
C 0.018936 2.398972 0.625639
C -3.873917 2.369903 -0.145301
C 1.293572 2.101886 -0.195657
C 2.572580 2.005025 0.666027
C 3.834475 1.656274 -0.154852
C -4.067251 3.265856 -1.387288
C -4.120381 -0.063005 0.473480
C 5.109698 1.513067 0.706620
C -3.827997 -1.487072 -0.023489
C 6.355855 1.130964 -0.121822
C -1.507991 -1.880886 0.655613
C -0.110302 -2.004677 0.187090
C 0.912981 -2.221359 1.150105
C 0.250171 -1.906509 -1.184614
C 2.255338 -2.336254 0.763106
C 1.590326 -2.021659 -1.583297
C 2.618191 -2.237795 -0.615159
H -1.382997 1.433708 -0.740955
H -1.161338 3.175234 -1.031904
H -2.571552 3.734439 0.931636
H -2.494930 2.067151 1.520933
H -0.086018 1.628355 1.418412
H 0.132932 3.371997 1.149794
H -4.702941 2.603737 0.573132
H 1.427282 2.887843 -0.969158
H 1.153124 1.145670 -0.740812
H 2.422342 1.229876 1.446544
H 2.733121 2.963938 1.202987
H 4.000234 2.436052 -0.928161
H 3.658714 0.705773 -0.700420
H -4.569437 0.812773 -1.369704
H -3.968477 4.332360 -1.117924
H -5.071226 3.120398 -1.831399
H -3.312743 3.029013 -2.158298
H -3.443355 0.153531 1.316436
H -5.157703 -0.074057 0.901240
H 5.299028 2.464571 1.244419
H 4.932713 0.746278 1.489151
H -4.379669 -1.716592 -0.951512
H -4.089606 -2.214609 0.766530
H 6.194474 0.172615 -0.653196
H 6.574001 1.901250 -0.885559
H 7.253949 1.021796 0.514253
H 0.626172 -2.295569 2.204582
H -0.534884 -1.735380 -1.926474
H 3.033550 -2.502317 1.517905
H 1.855267 -1.942643 -2.644700
H 4.211377 -2.286081 -1.986543
H 4.683921 -2.495821 -0.321252


