%chk=000048292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048292

1 1
 O    4.598600      -1.318500      -1.395700    
 N   -1.387800       1.760400     -0.1862000    
 N    2.140700      -1.115800      0.2088000    
 C  -0.4471000       2.673600      0.5865000    
 C   0.4227000       1.850100       1.546400    
 C   -2.231400      0.9559000      0.7923000    
 C    1.273700      0.8092000      0.8377000    
 C   -2.298900       2.600600      -1.069600    
 C  -0.5741000      0.8113000      -1.054000    
 C    1.303800       2.781600       2.386900    
 C    1.201700     -0.5264000       1.049600    
 C    2.240600       1.091300     -0.1229000    
 C    2.771700     -0.1220000     -0.5045000    
 C   -3.191600      2.4499999E-02  0.1130000    
 C    2.631800       2.419600     -0.6421000    
 C   0.4322000      -1.389100       1.883000    
 C    2.352700      -2.493600      0.1517000    
 C   -4.470500      0.4670000     -0.2067000    
 C   -2.794200      -1.272900     -0.1913000    
 C    3.803200     -0.3472000      -1.474900    
 C   0.6352000      -2.719500       1.830100    
 C    1.624900      -3.302300      0.9389000    
 C   -5.363300     -0.3987000     -0.8385000    
 C   -3.687000      -2.138600     -0.8232000    
 C    3.983900      0.6010000      -2.668700    
 C   -4.971600      -1.701300      -1.146700    
 H   0.1158000       3.256100     -0.1469000    
 H   -1.074700       3.374100       1.152300    
 H  -0.1991000       1.359600       2.300400    
 H   -2.766900       1.668300       1.433400    
 H   -1.601600      0.3530000       1.437800    
 H   -1.665400       3.258600      -1.673900    
 H   -2.877700       1.962000      -1.740900    
 H   -2.950800       3.203100     -0.4301000    
 H  -0.3701000     -0.1376000     -0.5864000    
 H   -1.221700      0.5322000      -1.897700    
 H   0.2408000       1.350100      -1.534500    
 H   0.6741000       3.381600       3.055000    
 H    1.990500       2.206700       3.019400    
 H    1.900300       3.489900       1.812400    
 H    2.330900       2.535700      -1.687400    
 H    2.204900       3.269200     -0.1192000    
 H    3.717200       2.549100     -0.5722000    
 H  -0.2915000     -0.9834000       2.580000    
 H    3.085500      -2.897700     -0.5323000    
 H   -4.794200       1.475000      3.6800001E-02
 H   -1.811100      -1.647300      6.8200000E-02
 H   6.8999998E-02  -3.392900       2.464400    
 H    1.749400      -4.378300      0.9252000    
 H   -6.364400     -5.9300002E-02  -1.088000    
 H   -3.384000      -3.154600      -1.058500    
 H    4.573400       1.471600      -2.377100    
 H    3.012600      0.8908000      -3.076400    
 H    4.523000      6.9200002E-02  -3.459700    
 H   -5.667300      -2.375900      -1.637100    


%chk=000048292-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048292

1 1
O 4.395338 -1.858415 -1.612685
N -1.578135 1.804128 -0.289054
N 2.376360 -1.204578 0.320469
C -0.544424 2.612857 0.554633
C 0.467399 1.833488 1.441924
C -2.194033 0.651192 0.584135
C 1.368845 0.824434 0.748364
C -2.670272 2.778774 -0.719095
C -0.931297 1.231168 -1.546696
C 1.266435 2.897847 2.257774
C 1.402371 -0.553684 1.128237
C 2.352860 1.013697 -0.267401
C 2.975867 -0.248232 -0.547571
C -3.333339 -0.104490 -0.063467
C 2.678472 2.327963 -0.940653
C 0.703039 -1.316787 2.106358
C 2.635925 -2.568482 0.457729
C -4.680765 0.289778 0.153869
C -3.072415 -1.268993 -0.835136
C 4.030930 -0.638562 -1.495314
C 0.965136 -2.682054 2.248337
C 1.938747 -3.306171 1.406409
C -5.743639 -0.445980 -0.413379
C -4.134744 -2.003890 -1.404578
C 4.722509 0.418917 -2.349654
C -5.471724 -1.590563 -1.198947
H -0.024023 3.260702 -0.171575
H -1.152855 3.258683 1.213913
H -0.125523 1.278825 2.194133
H -2.515611 1.148058 1.516464
H -1.348421 -0.019445 0.801830
H -2.200650 3.624473 -1.245428
H -3.374489 2.262530 -1.386404
H -3.204130 3.144179 0.171311
H -0.102380 0.571968 -1.255949
H -1.692994 0.676093 -2.112791
H -0.547586 2.066960 -2.152407
H 0.593537 3.529026 2.868014
H 1.963061 2.383373 2.939858
H 1.865318 3.560875 1.610311
H 2.459631 2.308566 -2.024865
H 2.111986 3.161615 -0.498865
H 3.747613 2.582209 -0.840314
H -0.013138 -0.819410 2.768380
H 3.397158 -2.967591 -0.213560
H -4.904491 1.158712 0.785815
H -2.040959 -1.618395 -0.968967
H 0.439465 -3.270137 3.006067
H 2.160987 -4.371515 1.502028
H -6.778500 -0.138163 -0.233232
H -3.923134 -2.902888 -1.992127
H 5.271209 1.147141 -1.724569
H 4.012573 0.982224 -2.980373
H 5.443676 -0.097520 -3.001135
H -6.295974 -2.165407 -1.633273


