%chk=000041938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041938

0 1
 O    2.189300       1.876500     -0.4962000    
 N    2.571800     -0.1442000      0.5967000    
 C    3.991200     -0.1930000      0.3909000    
 C    4.561900     -0.7368000     -0.8787000    
 C    4.720100      -1.497700      0.4051000    
 C    1.791400      0.8981000      0.1291000    
 C   0.3327000      0.7151000      0.4114000    
 C  -0.4747000      8.0499999E-02 -0.4690000    
 C  -9.5500000E-02   1.307000       1.723200    
 C   -1.922600     -0.1208000     -0.2270000    
 C  -6.6000000E-03 -0.4639000      -1.795000    
 C   -2.814600      0.8416000     -0.6594000    
 C   -2.340700      -1.265200      0.4243000    
 C   -4.177500      0.6524000     -0.4315000    
 C   -3.703900      -1.454300      0.6521000    
 C   -4.622200     -0.4955000      0.2242000    
 H    4.504600      0.6493000      0.8439000    
 H    5.437900     -0.2495000      -1.288400    
 H    3.883900      -1.139300      -1.621400    
 H    4.149100      -2.410800      0.5212000    
 H    5.703500      -1.523200      0.8582000    
 H    2.139400     -0.9152000       1.099100    
 H   0.4302000      0.8159000       2.549100    
 H   -1.167100       1.212500       1.917200    
 H   0.1460000       2.375100       1.751100    
 H  -0.1616000      -1.547700      -1.837800    
 H  -0.5657000     -4.4999998E-03  -2.617900    
 H    1.053800     -0.2833000      -1.991500    
 H   -2.479400       1.739700      -1.171000    
 H   -1.634200      -2.018400      0.7619000    
 H   -4.892700       1.398900     -0.7645000    
 H   -4.050300      -2.348000       1.162800    
 H   -5.683500     -0.6429000      0.4016000    


%chk=000041938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041938

0 1
O 2.443576 1.884072 0.828634
N 2.547481 -0.391656 0.369723
C 3.994393 -0.423576 0.337328
C 4.748333 -0.331932 -0.999573
C 4.687620 -1.662357 -0.225927
C 1.844619 0.783266 0.614241
C 0.337082 0.647893 0.704362
C -0.423523 0.082512 -0.294684
C -0.223760 1.332734 1.940084
C -1.907671 -0.096874 -0.151592
C 0.145908 -0.381693 -1.631960
C -2.806573 0.345711 -1.161183
C -2.452462 -0.764336 0.981124
C -4.198531 0.145184 -1.035271
C -3.842761 -0.976715 1.103974
C -4.723951 -0.520615 0.096378
H 4.456402 0.088058 1.187752
H 5.687377 0.227127 -1.015931
H 4.145848 -0.245981 -1.908106
H 4.062390 -2.458795 -0.644224
H 5.588465 -2.020296 0.279222
H 2.026653 -1.268589 0.315082
H -0.009311 0.758714 2.863165
H -1.311476 1.488892 1.874891
H 0.279129 2.310747 2.049739
H 0.051094 -1.479401 -1.750526
H -0.427535 0.065429 -2.464949
H 1.201987 -0.100875 -1.763128
H -2.419648 0.875271 -2.039246
H -1.774036 -1.130226 1.760172
H -4.872644 0.509613 -1.818670
H -4.236991 -1.500379 1.982249
H -5.803488 -0.682528 0.190649


